Exact Mass: 126.10311719999999

Exact Mass Matches: 126.10311719999999

Found 500 metabolites which its exact mass value is equals to given mass value 126.10311719999999, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Melamine

2,4,6-triamino-1,3,5-triazine;melamine;1,3,5-triazine-2,4,6-triamine;[1,3,5]triazine-2,4,6-triamine;s-triazine, 4,6-diamino-1,2-dihydro-2-imino-;2,4,6-triamino-1,3,5-triazine melamine 1,3,5-triazine-2,4,6-triamine [1,3,5]triazine-2,4,6-triamine s-triazine, 4,6-diamino-1,2-dihydro-2-imino-

C3H6N6 (126.0653916)


Melamine is an organic base and a trimer of cyanamide, with a 1,3,5-triazine skeleton. Like cyanamide, it contains 66\\\% nitrogen by mass and, if mixed with resins, has fire retardant properties due to its release of nitrogen gas when burned or charred, and has several other industrial uses. Melamine is also a metabolite of cyromazine, a pesticide. It is formed in the body of mammals who have ingested cyromazine. It has been reported that cyromazine can also be converted to melamine in plants. Melamine is combined with formaldehyde to produce melamine resin, a very durable thermosetting plastic used in Formica, and melamine foam, a polymeric cleaning product. The end products include countertops, dry erase boards, fabrics, glues, housewares, dinnerware, cooking spoons, guitar saddles, guitar nuts, acoustic foam paneling, and flame retardants. Melamine is one of the major components in Pigment Yellow 150, a colorant in inks and plastics. Melamine is sometimes illegally added to food products in order to increase the apparent protein content. Standard tests, such as the Kjeldahl and Dumas tests, estimate protein levels by measuring the nitrogen content, so they can be misled by adding nitrogen-rich compounds such as melamine.There is an instrument (SPRINT) developed by the company CEM Corp that allows the determination of protein content directly in some applications; this cannot be fooled by adding melamine in the sample. Ultrasound-assisted extractive electrospray ionization mass spectrometry (EESI-MS) has been developed at ETH Zurich (Switzerland) by Zhu et al., (2008) for a rapid detection of melamine in untreated food samples. Ultrasounds are used to nebulize the melamine-containing liquids into a fine spray. The spray is then ionised by extractive electrospray ionisation (EESI) and analysed using tandem mass spectrometry (MS/MS). An analysis requires 30 seconds per sample. The limit of detection of melamine is a few nanograms of melamine per gram of milk. Crystallization and washing of melamine generates a considerable amount of waste water, which is a pollutant if discharged directly into the environment. The waste water may be concentrated into a solid (1.5-5\\\% of the weight) for easier disposal. The solid may contain approximately 70\\\% melamine, 23\\\% oxytriazines (ammeline, ammelide, and cyanuric acid), 0.7\\\% polycondensates (melem, melam, and melon). In the Eurotecnica process, however, there is no solid waste and the contaminants are decomposed to ammonia and carbon dioxide and sent as off gas to the upstream urea plant; accordingly, the waste water can be recycled to the melamine plant itself or used as clean cooling water make-up. Melamine also enters the fabrication of melamine poly-sulfonate used as superplasticizer for making high-resistance concrete. Sulfonated melamine formaldehyde (SMF) is a polymer used as cement admixture to reduce the water content in concrete while increasing the fluidity and the workability of the mix during its handling and pouring. It results in concrete with a lower porosity and a higher mechanical strength, exhibiting an improved resistance to aggressive environments and a longer life-time. Melamine appears as colorless to white monoclinic crystals or prisms or white powder. Sublimes when gently heated. (NTP, 1992) Melamine is a trimer of cyanamide, with a 1,3,5-triazine skeleton. It has a role as a xenobiotic metabolite. It is functionally related to a cyanamide. It is a conjugate base of a melamine(1+). Melamine is a natural product found in Euglena gracilis, Aeromonas veronii, and Apis cerana with data available. Melamine is an organic base and a trimer of cyanamide, with a 1,3,5-triazine skeleton. Like cyanamide, it contains 66\\\% nitrogen by mass and, if mixed with resins, has fire retardant properties due to its release of nitrogen gas when burned or charred, and has several other industrial uses. Melamine is also a metabolite of cyromazine, a pesticide. It is formed in the body of mammals who have ingested cyromazine. It has been reported that cyromazine can also be converted to melamine in plants. Melamine is described as Harmful if swallowed, inhaled or absorbed through the skin. Chronic exposure may cause cancer or reproductive damage. Eye, skin and respiratory irritant. However, the short-term lethal dose is on a par with common table salt with an LD50 of more than 3 grams per kilogram of bodyweight.[15] U.S. Food and Drug Administration (FDA) scientists explained that when melamine and cyanuric acid are absorbed into the bloodstream, they concentrate and interact in the urine-filled renal tubules, then crystallize and form large numbers of round, yellow crystals, which in turn block and damage the renal cells that line the tubes, causing the kidneys to malfunction. A trimer of cyanamide, with a 1,3,5-triazine skeleton. CONFIDENCE standard compound; EAWAG_UCHEM_ID 3151 CONFIDENCE standard compound; INTERNAL_ID 8699 CONFIDENCE standard compound; INTERNAL_ID 3870 Melamine is a metabolite?of?cyromazine. Melamine is a intermediate for the synthesis of melamine resin and plastic materials[1].

   

Sulcatone

6-Methylheptan-5-ene-2-one

C8H14O (126.10445940000001)


Sulcatone, also known as methylheptenone or fema 2707, belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Sulcatone is a very hydrophobic methylketone, practically insoluble in water, and relatively neutral. It exists as a clear, colorless liquid. Sulcatone can be found in all eukaryotes, ranging from yeast to plants to humans. Sulcatone has a musty, apple green-bean, and pear-like taste. and a citrus-like lemongrass odor. It is a volatile oil component of citronella oil, lemon-grass oil and palmarosa oil. Sulcatone is naturally found in bay leaf, blackberry fruit, sour cherries, cloves, ginger and lavender. In insects and animals, it has a role as an alarm or attractant pheromone. In fact, sulcatone is one of a number of mosquito attractants, especially for those species such as Aedes aegypti with the odor receptor gene Or4 (PMID:25391959 ). Sulcatone is secreted by humans in their sweat and is a compound frequently found in human body odors (but in few other mammals). Sulcoatone is used as a pheromone by ferrets, european badgers, red foxes, treefrogs, bedbugs, wasps and butterflies. Sulcatone is one of several ketones found in Cannabis sativa (PMID:6991645 ). Sulcatone, also known as 6-methylhept-5-en-2-one, is a member of the class of compounds known as ketones. Ketones are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Thus, sulcatone is considered to be an oxygenated hydrocarbon lipid molecule. Sulcatone is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Sulcatone is an apple, bitter, and citrus tasting compound and can be found in a number of food items such as oil palm, winter savory, european plum, and swamp cabbage, which makes sulcatone a potential biomarker for the consumption of these food products. Sulcatone can be found primarily in feces and saliva. Sulcatone exists in all eukaryotes, ranging from yeast to humans. Sulcatone is an endogenous metabolite. Sulcatone is an endogenous metabolite.

   

Toluene-cis-dihydrodiol

(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol

C7H10O2 (126.068076)


   

1-Cyclohexene-1-carboxylic acid

1-Cyclohexenecarboxylic acid, ion (1-)-isomer

C7H10O2 (126.068076)


   

(E)-2-octenal

2-Octenal, (e)-isomer

C8H14O (126.10445940000001)


Oct-2-en-1-al, also known as 2-octenal or oct-(E)-2-enal, is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Oct-2-en-1-al is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Oct-2-en-1-al can be found in black walnut and burdock, which makes oct-2-en-1-al a potential biomarker for the consumption of these food products. Oct-2-en-1-al can be found primarily in feces and urine. (E)-2-octenal is a flavoring ingredient for improving the aroma and flavor of cherries, dairy products, nuts, and meat. It is a colorless to slightly yellow liquid with fresh cucumber, fragrant herbs, banana leaf-like flavor. The boiling point of (E)-2-octenal (CAS 2548-87-0) is 84-86 degree Celcius, and when heated to decomposition it emits acrid smoke and irritating vapours.

   

3-Octen-2-one

trans-3-Octen-2-one

C8H14O (126.10445940000001)


3-Octen-2-one, also known as fema 3416, belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. 3-Octen-2-one is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, 3-octen-2-one is considered to be an oxygenated hydrocarbon lipid molecule. 3-Octen-2-one is a sweet, blueberry, and crushed bug tasting compound. 3-octen-2-one has been detected, but not quantified, in several different foods, such as potato, green vegetables, cereals and cereal products, fishes, and nuts. This could make 3-octen-2-one a potential biomarker for the consumption of these foods. 3-Octen-2-one has been found to be associated with the diseases such as ulcerative colitis; also 3-octen-2-one has been linked to the inborn metabolic disorders including celiac disease. Vanilla volatile, mushroom flavour component of Boletus edulis (porcini)and is also present in asparagus, baked or French fried potato, raw lean fish, chicken fat, white wine, roasted filbert, coriander seed and rice. Flavouring ingredient. 3-Octen-2-one is found in many foods, some of which are nuts, potato, cereals and cereal products, and animal foods.

   

(3xi,5Z)-1,5-Octadien-3-ol

Octa-1,5-dien-3-ol, (e)-isomer

C8H14O (126.10445940000001)


Off-flavour component of cooked prawns and sand-lobsters. (3xi,5Z)-1,5-Octadien-3-ol is found in crustaceans. (3xi,5Z)-1,5-Octadien-3-ol is found in crustaceans. Off-flavour component of cooked prawns and sand-lobster

   

(3E,5Z)-3,5-Octadien-1-ol

(3E,5E)-octa-3,5-dien-1-ol

C8H14O (126.10445940000001)


(3Z,5Z)-3,5-Octadien-1-ol is found in pomes. (3Z,5Z)-3,5-Octadien-1-ol is a flavour component of kogyoku apple oil. Flavour component of kogyoku apple oil. (3E,5Z)-3,5-Octadien-1-ol is found in pomes.

   

5-Octen-2-one

(5Z)-oct-5-en-2-one

C8H14O (126.10445940000001)


5-Octen-2-one is found in citrus. 5-Octen-2-one is isolated from bergamot orange (Citrus bergamia) and black te Isolated from bergamot orange (Citrus bergamia) and black tea. 5-Octen-2-one is found in tea and citrus.

   

3,4-Dimethyl-1,2-cyclopentanedione

2-Hydroxy-3,4-dimethyl-2-cyclopenten-1-one

C7H10O2 (126.068076)


3,4-Dimethyl-1,2-cyclopentanedione is found in coffee and coffee products. 3,4-Dimethyl-1,2-cyclopentanedione is a constituent of coffee. 3,4-Dimethyl-1,2-cyclopentanedione is a flavouring additive with sugary/maple/caramel taste. Constituent of coffee. Flavouring additive with sugary/maple/caramel taste. 3,4-Dimethyl-1,2-cyclopentanedione is found in coffee and coffee products.

   

Enol-3-Ethyl-1,2-cyclopentanedione

2-Cyclopenten-1-one, 2-hydroxy-3-ethyl

C7H10O2 (126.068076)


Enol-3-Ethyl-1,2-cyclopentanedione is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

xi-5-Isopropyl-2(5H)-furanone

5-(propan-2-yl)-2,5-dihydrofuran-2-one

C7H10O2 (126.068076)


xi-5-Isopropyl-2(5H)-furanone is found in fats and oils. xi-5-Isopropyl-2(5H)-furanone is a component of `hydrogenation flavour formed on storage of deodorised hydrogenated soybean oil. Component of `hydrogenation flavour formed on storage of deodorised hydrogenated soybean oil. xi-5-Isopropyl-2(5H)-furanone is found in fats and oils.

   

(2E,4E)-2,4-Octadien-1-ol

(2Z,4E)-octa-2,4-dien-1-ol

C8H14O (126.10445940000001)


(2E,4E)-2,4-Octadien-1-ol is a flavouring ingredient. Flavouring ingredient

   

(S,E)-Filbertone

(2Z)-5-methylhept-2-en-4-one

C8H14O (126.10445940000001)


(S,E)-Filbertone is found in nuts. Principal flavour constituent of hazelnuts. (S,E)-Filbertone is a flavouring ingredient. Principal flavour constituent of hazelnuts. Flavouring ingredient. (S,E)-Filbertone is found in nuts.

   

6-Methyl-3-hepten-2-one, trans-

6-Methyl-3-hepten-2-one, trans-

C8H14O (126.10445940000001)


6-Methyl-3-hepten-2-one, trans- is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

3-Methyl-1,2-cyclohexanedione

2-Hydroxy-3-methyl-2-cyclohexen-1-one

C7H10O2 (126.068076)


3-Methyl-1,2-cyclohexanedione is found in coffee and coffee products. 3-Methyl-1,2-cyclohexanedione is a constituent of coffee. 3-Methyl-1,2-cyclohexanedione is a flavouring ingredient. Constituent of coffee. Flavouring ingredient. 3-Methyl-1,2-cyclohexanedione is found in coffee and coffee products.

   

Isopropylcyclohexane

(1-Methylethyl)cyclohexane, 9ci

C9H18 (126.1408428)


Isopropylcyclohexane is found in fruits. Isopropylcyclohexane is found in Carica papaya (papaya). Found in Carica papaya (papaya)

   

xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one

xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one

C7H10O2 (126.068076)


Xi-4-hydroxy-4-methyl-2-cyclohexen-1-one is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Xi-4-hydroxy-4-methyl-2-cyclohexen-1-one is soluble (in water) and a very weakly acidic compound (based on its pKa). Xi-4-hydroxy-4-methyl-2-cyclohexen-1-one can be found in herbs and spices, which makes xi-4-hydroxy-4-methyl-2-cyclohexen-1-one a potential biomarker for the consumption of this food product. xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one is found in herbs and spices. xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one is a constituent of Nigella sativa (black cumin) and peppermint oil (Mentha piperita).

   

3-Ethyl-1,2-cyclopentanedione

3-Ethyl-2-hydroxy-2-cyclopenten-1-one, 9ci

C7H10O2 (126.068076)


3-Ethyl-1,2-cyclopentanedione is found in coffee and coffee products. 3-Ethyl-1,2-cyclopentanedione is isolated from coffee and tobacco. 3-Ethyl-1,2-cyclopentanedione is a flavouring material, with caramel flavour and flavour enhancing properties Isolated from coffee and tobacco. Flavouring material, with caramel flavour and flavour enhancing props. 3-Ethyl-1,2-cyclopentanedione is found in coffee and coffee products.

   

1-Octen-3-one

Pentyl vinyl ketone

C8H14O (126.10445940000001)


1-Octen-3-one is found in fruits. Mushroom flavour component (shiitake, matsutake). Also present in cranberry, melon, cape gooseberry, peas, potato, mustards, wheat bread, other breads, coriander seed, dill basil varieties and soybean. Contributes to aroma of cooked artichokes (Cynara scolymus) and many other foods Oct-1-en-3-one (CH2=CHC(=O)(CH2)4CH3), also known as 1-octen-3-one, is the odorant that is responsible for the typical metallic smell of metals and blood coming into contact with skin. Oct-1-en-3-one has a strong metallic mushroom-like odor with an odor detection threshold of 0.03 - 1.12 µg/m and it is the main compound responsible for the "smell of metal", followed by decanal (smell: orange skin, flowery) and nonanal (smell: tallowy, fruity). Oct-1-en-3-one is the degradative reduction product of the chemical reaction of skin lipid peroxides and Fe2+. Skin lipid peroxides are formed from skin lipid by oxidation, either enzymatically by lipoxygenases or by air oxygen. Oct-1-en-3-one is a ketone analog of the alkene 1-octene Mushroom flavour component (shiitake, matsutake)and is also present in cranberry, melon, cape gooseberry, peas, potato, mustards, wheat bread, other breads, coriander seed, dill basil varieties and soybean. Contributes to aroma of cooked artichokes (Cynara scolymus) and many other foods

   

2,5-Octadien-1-ol

(2Z,5E)-octa-2,5-dien-1-ol

C8H14O (126.10445940000001)


2,5-Octadien-1-ol is found in fishes. 2,5-Octadien-1-ol is a constituent of various fish and other marine animals. Constituent of various fish and other marine animals. 2,5-Octadien-1-ol is found in fishes.

   

2,4,4-Trimethylcyclopentanone

2,4,4-trimethylcyclopentan-1-one

C8H14O (126.10445940000001)


2,4,4-Trimethylcyclopentanone is found in fats and oils. 2,4,4-Trimethylcyclopentanone is isolated from oil of Mentha pulegium (European pennyroyal

   

3,5-Dimethyl-1,2-cyclopentanedione

2-Hydroxy-3,5-dimethyl-2-cyclopenten-1-one, 9ci

C7H10O2 (126.068076)


3,5-Dimethyl-1,2-cyclopentanedione is found in animal foods. 3,5-Dimethyl-1,2-cyclopentanedione is a constituent of coffee and cooked cured pork. 3,5-Dimethyl-1,2-cyclopentanedione is a flavouring agent. Constituent of coffee and cooked cured pork. Flavouring agent. 3,5-Dimethyl-1,2-cyclopentanedione is found in coffee and coffee products and animal foods.

   

1-Nonene

Propylene trimer

C9H18 (126.1408428)


Isolated from peaches and beef. 1-Nonene is found in animal foods and fruits. 1-Nonene is found in animal foods. 1-Nonene is isolated from peaches and bee

   

Methyl sorbate

2,4-Hexadienoic acid, methyl ester (9ci)

C7H10O2 (126.068076)


Methyl sorbate is a flavouring ingredien Flavouring ingredient

   

4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone

Laquo gammaraquo -vinyl-laquo gammaraquo -valerolactone

C7H10O2 (126.068076)


4-methyl-4-vinyl-gamma-butyrolactone is a member of the class of compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. 4-methyl-4-vinyl-gamma-butyrolactone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-methyl-4-vinyl-gamma-butyrolactone has a fruity and minty taste. 4-methyl-4-vinyl-gamma-butyrolactone exists in all eukaryotes, ranging from yeast to humans. 4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

2-Octenal

2-Octenal, (e)-isomer

C8H14O (126.10445940000001)


2-Octenal is a flavouring ingredien. It has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID:22626821). Flavouring ingredient

   

2-Octen-4-one

Butyl propenyl ketone

C8H14O (126.10445940000001)


2-Octen-4-one is found in cereals and cereal products. 2-Octen-4-one is a flavouring ingredient. 2-Octen-4-one is present in roasted hazelnut and white brea 2-Octen-4-one is a flavouring ingredient. It is found in roasted hazelnut, white bread, and cereal products.

   

3-Methyl-3-hepten-2-one

(3E)-3-Methyl-3-hepten-2-one

C8H14O (126.10445940000001)


3-Methyl-3-hepten-2-one is found in herbs and spices. 3-Methyl-3-hepten-2-one is a constituent of the oil of Glycyrrhiza glabra (licorice)

   

5-Methyl-5-hepten-2-one

(5Z)-5-methylhept-5-en-2-one

C8H14O (126.10445940000001)


5-Methyl-5-hepten-2-one is found in root vegetables. 5-Methyl-5-hepten-2-one is a constituent of Daucus carota (carrot) Constituent of Daucus carota (carrot). 5-Methyl-5-hepten-2-one is found in root vegetables.

   

Allyl crotonate

Prop-2-en-1-yl (2Z)-but-2-enoic acid

C7H10O2 (126.068076)


Allyl crotonate is found in nuts. Allyl crotonate is found in roasted filberts (Corylus avellana Found in roasted filberts (Corylus avellana)

   

4-Octen-3-one

(4E)-oct-4-en-3-one

C8H14O (126.10445940000001)


4-Octen-3-one is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

3-(3-Ethyloxiranyl)-2-propenal

(2E)-3-(3-ethyloxiran-2-yl)prop-2-enal

C7H10O2 (126.068076)


Lipid peroxidation product implicated in nonenzymic browning reactions of aminoacids and proteins. Reacts with lysine and lysine groups to form pyrrole adducts Lipid peroxidation product implicated in nonenzymic browning reactions of aminoacids and proteins. Reacts with lysine and lysine groups to form pyrrole adduct

   

2-Ethylidenehexanal

(2E)-2-ethylidenehexanal

C8H14O (126.10445940000001)


2-Ethylidenehexanal is a flavouring ingredient, imparting sweet nutty flavour. Flavouring ingredient, imparting sweet nutty flavour

   

6-Octenal

(6Z)-oct-6-enal

C8H14O (126.10445940000001)


6-Octenal is listed in the EAFUS Food Additive Database (Jan. 2001). Listed in the EAFUS Food Additive Database (Jan. 2001)

   

(Z)-5-Octenal

(Z)-5-octen-1-al

C8H14O (126.10445940000001)


(Z)-5-Octenal is a flavouring ingredient. Flavouring ingredient

   

2-(Ethoxymethyl)furan

2-Furfuryl ethyl ether

C7H10O2 (126.068076)


2-(Ethoxymethyl)furan is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). It is used as a food additive

   

2-Ethyl-2-hexenal

(2E)-2-ethylhex-2-enal

C8H14O (126.10445940000001)


2-Ethyl-2-hexenal belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.

   

N(tele)-methylhistaminium

2-(1-methyl-1H-imidazol-4-yl)ethan-1-aminium

C6H12N3+ (126.10311719999999)


N(tele)-methylhistaminium is considered to be slightly soluble (in water) and basic COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

(2R,5R)-Hept-6-yne-2,5-diamine

6-Heptyne-2,5-diamine, R-(r*,r*)-isomer

C7H14N2 (126.1156924)


   

1,1,2-Trimethylcyclohexane

cyclohexane, 1,1,2-trimethyl-

C9H18 (126.1408428)


   

1,2,4-Trimethylcyclohexane

1,2,4-Trimethylcyclohexane

C9H18 (126.1408428)


   

2-Isopropylcyclopentanone

CYCLOPENTANONE, 2-(1-METHYLETHYL)-

C8H14O (126.10445940000001)


2-isopropylcyclopentanone is a member of the class of compounds known as cyclic ketones. Cyclic ketones are organic compounds containing a ketone that is conjugated to a cyclic moiety. 2-isopropylcyclopentanone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-isopropylcyclopentanone can be found in cornmint, which makes 2-isopropylcyclopentanone a potential biomarker for the consumption of this food product.

   

1-(3-Aminopropyl)-pyrrolinium

octahydropyrrolo[1,2-a]pyrimidine

C7H14N2 (126.1156924)


1-(3-aminopropyl)-pyrrolinium is a member of the class of compounds known as pyrrolopyrimidines. Pyrrolopyrimidines are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 1-(3-aminopropyl)-pyrrolinium is soluble (in water) and a very strong basic compound (based on its pKa). 1-(3-aminopropyl)-pyrrolinium can be found in barley, common wheat, corn, and oat, which makes 1-(3-aminopropyl)-pyrrolinium a potential biomarker for the consumption of these food products.

   

3-Octenal

(3E)-oct-3-enal

C8H14O (126.10445940000001)


3-octenal is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Thus, 3-octenal is considered to be a fatty aldehyde lipid molecule. 3-octenal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 3-octenal can be found in coriander, which makes 3-octenal a potential biomarker for the consumption of this food product.

   

3,5,5,Trimethyl-2-hexene

(2E)-3,5,5-trimethylhex-2-ene

C9H18 (126.1408428)


3,5,5,trimethyl-2-hexene is a member of the class of compounds known as branched unsaturated hydrocarbons. Branched unsaturated hydrocarbons are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch. 3,5,5,trimethyl-2-hexene can be found in soy bean, which makes 3,5,5,trimethyl-2-hexene a potential biomarker for the consumption of this food product.

   

trans-Octen-2-al

2-Octenal, (e)-isomer

C8H14O (126.10445940000001)


Trans-octen-2-al, also known as (E)-2-octenal or 2-octenal, (E)-isomer, is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Thus, trans-octen-2-al is considered to be a fatty aldehyde lipid molecule. Trans-octen-2-al is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Trans-octen-2-al can be found in ginger and potato, which makes trans-octen-2-al a potential biomarker for the consumption of these food products.

   

Filbertone

(2E)-5-methylhept-2-en-4-one

C8H14O (126.10445940000001)


Filbertone, also known as 5-methylhept-2-en-4-one, is a member of the class of compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. Filbertone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Filbertone is a sweet, filbert, and hazelnut tasting compound found in common hazelnut, which makes filbertone a potential biomarker for the consumption of this food product. Filbertone is the principal flavor compound of hazelnuts. It is used in perfumery and is designated as generally recognized as safe (GRAS) for use in foods . Flavouring compound [Flavornet]

   

1,5-octadien-3-ol

Octa-1,5-dien-3-ol, (e)-isomer

C8H14O (126.10445940000001)


Flavouring compound [Flavornet]

   

(Z)-3-octen-2-one

(3Z)-oct-3-en-2-one

C8H14O (126.10445940000001)


Flavouring compound [Flavornet]

   

6-Hydroxy-4-methyl-1-cyclohexene-3-one

6-Hydroxy-4-methyl-1-cyclohexene-3-one

C7H10O2 (126.068076)


   

2-isopropylcyclopentanone

CYCLOPENTANONE, 2-(1-METHYLETHYL)-

C8H14O (126.10445940000001)


   

Hepta-2,4(E,E)-dienoic acid

(2E,4E)-2,4-Heptadienoic acid

C7H10O2 (126.068076)


   

6-METHYL-5-HEPTEN-2-ONE

6-METHYL-5-HEPTEN-2-ONE

C8H14O (126.10445940000001)


Sulcatone is an endogenous metabolite. Sulcatone is an endogenous metabolite.

   

2-Ethyl-2-hexenal

2-Ethyl-2-hexenal

C8H14O (126.10445940000001)


A monounsaturated fatty aldehyde that is hex-2-enal substituted by an ethyl group at position 2.

   
   

2-methyl-1,3-cyclohexandione

2-methyl-1,3-Cyclohexanedione

C7H10O2 (126.068076)


   

4,4-DIMETHYL-5-METHYLENE-GAMMA-BUTYROLACTONE

4,4-DIMETHYL-5-METHYLENE-GAMMA-BUTYROLACTONE

C7H10O2 (126.068076)


   
   

3-hepten-2,5-dione

3-hepten-2,5-dione

C7H10O2 (126.068076)


   

3,4,5-Trimethyl-2(5H)-furanone

3,4,5-Trimethyl-2(5H)-furanone

C7H10O2 (126.068076)


   

7-OCTEN-2-ONE

7-OCTEN-2-ONE

C8H14O (126.10445940000001)


An methyl ketone that is octan-2-one carrying a double bond at position 7.

   

1,1,3-TRIMETHYLCYCLOHEXANE

1,1,3-TRIMETHYLCYCLOHEXANE

C9H18 (126.1408428)


   
   
   
   

1-Ethyl-4-methylcyclohexane

1-Ethyl-4-methylcyclohexane

C9H18 (126.1408428)


   

2-Hydroxy-3,4-dimethylcyclopent-2-en-1-one

2-Hydroxy-3,4-dimethylcyclopent-2-en-1-one

C7H10O2 (126.068076)


   

2-Hydroxy-3,5-dimethylcyclopent-2-en-1-one

2-Hydroxy-3,5-dimethylcyclopent-2-en-1-one

C7H10O2 (126.068076)


   
   

(5-Ethylcyclopent-1-enyl)methanol

(5-Ethylcyclopent-1-enyl)methanol

C8H14O (126.10445940000001)


   

2-Methylhexa-2,4-dienoic acid

2-Methylhexa-2,4-dienoic acid

C7H10O2 (126.068076)


   

Octahydro-1H-cyclopenta[b]pyrazine

Octahydro-1H-cyclopenta[b]pyrazine

C7H14N2 (126.1156924)


   

2-Ethylcyclopentanecarbaldehyde

2-Ethylcyclopentanecarbaldehyde

C8H14O (126.10445940000001)


   
   

hepta-2,4-dienoic acid

hepta-2,4-dienoic acid

C7H10O2 (126.068076)


   

2-Methoxy-3-methylcyclopent-2-en-1-one

2-Methoxy-3-methylcyclopent-2-en-1-one

C7H10O2 (126.068076)


   
   

hept-4-trans-en,6-yne-2,3-diol

hept-4-trans-en,6-yne-2,3-diol

C7H10O2 (126.068076)


   

(2E,4E)-6-hydroxy-5-methyl-2,4-hexadienal|(2E,4E)-6-hydroxy-5-methylhexa-2,4-dienal

(2E,4E)-6-hydroxy-5-methyl-2,4-hexadienal|(2E,4E)-6-hydroxy-5-methylhexa-2,4-dienal

C7H10O2 (126.068076)


   

6-hydroxy-6-methylcyclohex-2-en-1-one

6-hydroxy-6-methylcyclohex-2-en-1-one

C7H10O2 (126.068076)


   

2-Cyclopentene-1-acetic acid

2-Cyclopentene-1-acetic acid

C7H10O2 (126.068076)


   

Methyl cyclopent-2-ene-1-carboxylate

Methyl cyclopent-2-ene-1-carboxylate

C7H10O2 (126.068076)


   

4-Ethyl-2-hydroxycyclopent-2-en-1-one

4-Ethyl-2-hydroxycyclopent-2-en-1-one

C7H10O2 (126.068076)


   
   
   

2,4-Dimethylhexa-2,4-dien-1-ol

2,4-Dimethylhexa-2,4-dien-1-ol

C8H14O (126.10445940000001)


   

2,4-dimethyl-4,5-dihydrofuran-3-carbaldehyde

2,4-dimethyl-4,5-dihydrofuran-3-carbaldehyde

C7H10O2 (126.068076)


   

1,5-diazabicyclo[4.3.0]nonane

1,5-diazabicyclo[4.3.0]nonane

C7H14N2 (126.1156924)


An azabicycloalkane that consists of a hexahydropyrimidine ring fused with a cyclopentane ring at positions 2 and 3.

   

Melamine

Melamine

C3H6N6 (126.0653916)


CONFIDENCE standard compound; INTERNAL_ID 3870 CONFIDENCE Reference Standard (Level 1) Melamine is a metabolite?of?cyromazine. Melamine is a intermediate for the synthesis of melamine resin and plastic materials[1].

   

4-Methyl-3Z,5-hexadienoic acid

4-Methyl-3Z,5-hexadienoic acid

C7H10O2 (126.068076)


   

2,4-Dimethyl-2E,4E-hexadien-1-ol

2,4-Dimethyl-2E,4E-hexadien-1-ol

C8H14O (126.10445940000001)


   

3-heptynoic acid

3-heptynoic acid

C7H10O2 (126.068076)


   

4-heptynoic acid

4-heptynoic acid

C7H10O2 (126.068076)


   

6-Heptynoic acid

6-Heptynoic acid

C7H10O2 (126.068076)


   

2-heptenedial

2-heptenedial

C7H10O2 (126.068076)


   

(E)-2-octenal

(2E)-2-Octenal

C8H14O (126.10445940000001)


2-octenal, also known as 2-octenal, (Z)-isomer, is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. 2-octenal is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-octenal has a fatty and green taste. 2-octenal can be found primarily in blood. 2-octenal is a non-carcinogenic (not listed by IARC) potentially toxic compound. As a uremic toxin, this compound can cause uremic syndrome. Uremic syndrome may affect any part of the body and can cause nausea, vomiting, loss of appetite, and weight loss. It can also cause changes in mental status, such as confusion, reduced awareness, agitation, psychosis, seizures, and coma. Abnormal bleeding, such as bleeding spontaneously or profusely from a very minor injury can also occur. Heart problems, such as an irregular heartbeat, inflammation in the sac that surrounds the heart (pericarditis), and increased pressure on the heart can be seen in patients with uremic syndrome. Shortness of breath from fluid buildup in the space between the lungs and the chest wall (pleural effusion) can also be present (T3DB).

   
   
   
   
   

Methyl Sorbate

2,4-Hexadienoic acid, methyl ester (9ci)

C7H10O2 (126.068076)


   

1,5Z-Octadien-3R-ol

(3xi,5Z)-1,5-Octadien-3-ol

C8H14O (126.10445940000001)


   

Arylsulfonamide 11C

2,4,4-trimethylcyclopentan-1-one

C8H14O (126.10445940000001)


   

Enol-3-Ethyl-1,2-cyclopentanedione

2-Cyclopenten-1-one, 2-hydroxy-3-ethyl

C7H10O2 (126.068076)


   

FEMA 3603

Butyl propenyl ketone

C8H14O (126.10445940000001)


   
   

3-Methyl-3-hepten-2-one

(3E)-3-Methyl-3-hepten-2-one

C8H14O (126.10445940000001)


   

5-Methyl-5-hepten-2-one

(5Z)-5-methylhept-5-en-2-one

C8H14O (126.10445940000001)


   

Allyl crotonate

2-Butenoic acid, 2-propenyl ester

C7H10O2 (126.068076)


   

«

4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone

C7H10O2 (126.068076)


   

6-Methyl-3-hepten-2-one

6-Methyl-3-hepten-2-one, trans-

C8H14O (126.10445940000001)


   

4-Octen-3-one

(4E)-4-Octen-3-one

C8H14O (126.10445940000001)


   

FEMA 3416

trans-3-Octen-2-one

C8H14O (126.10445940000001)


   

4-hydroxy-4-methylcyclohex-2-en-1-one

xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one

C7H10O2 (126.068076)


   

4,5-Epoxy-2-heptenal

(2E)-3-(3-ethyloxiran-2-yl)prop-2-enal

C7H10O2 (126.068076)


   

(S,E)-Filbertone

(2Z)-5-methylhept-2-en-4-one

C8H14O (126.10445940000001)


   

5-Octen-2-one

(5Z)-oct-5-en-2-one

C8H14O (126.10445940000001)


   

UNII:50AIF51OCI

2-Hydroxy-3,4-dimethyl-2-cyclopenten-1-one

C7H10O2 (126.068076)


   

FEMA 3269

2-Hydroxy-3,5-dimethyl-2-cyclopenten-1-one, 9ci

C7H10O2 (126.068076)


   

FEMA 3392

(2E)-2-ethylidenehexanal

C8H14O (126.10445940000001)


   

2,5-Octadien-1-ol

(2Z,5E)-octa-2,5-dien-1-ol

C8H14O (126.10445940000001)


   

(3E,5Z)-3,5-Octadien-1-ol

(3E,5E)-octa-3,5-dien-1-ol

C8H14O (126.10445940000001)


   

FEMA 3956

(2Z,4E)-octa-2,4-dien-1-ol

C8H14O (126.10445940000001)


   

Ethyl furfuryl ether

2-Furfuryl ethyl ether

C7H10O2 (126.068076)


   

xi-5-Isopropyl-2(5H)-furanone

5-(propan-2-yl)-2,5-dihydrofuran-2-one

C7H10O2 (126.068076)


   

1,5Z-Octadien-3-ol

(Z)-1,5-Octadien-3-ol

C8H14O (126.10445940000001)


   
   
   

4S-methyl-1-hepten-3-one

(S)-4-Methyl-1-hepten-3-one

C8H14O (126.10445940000001)


   
   
   
   
   

3E-Hepten-2,5-dione

3E-Hepten-2,5-dione

C7H10O2 (126.068076)


   

3Z-Hepten-2,5-dione

3Z-Hepten-2,5-dione

C7H10O2 (126.068076)


   

FA 7:2

(5R)-5beta-Vinyl-5-methyltetrahydrofuran-2-one

C7H10O2 (126.068076)


   

FOH 8:2

2,4-Dimethyl-2E,4E-hexadien-1-ol

C8H14O (126.10445940000001)


   

FAL 7:2;O

2-heptenedial

C7H10O2 (126.068076)


   

FAL 8:1

(2E)-2-Octenal

C8H14O (126.10445940000001)


   

SFE 7:2

2,4-Hexadienoic acid,methyl ester

C7H10O2 (126.068076)


   
   
   

1-(5-Methyl-2-furyl)ethanol

1-(5-Methyl-2-furyl)ethanol

C7H10O2 (126.068076)


   
   

2-(ISOPROPYLAMINO)-2-METHYLPROPANENITRILE

2-(ISOPROPYLAMINO)-2-METHYLPROPANENITRILE

C7H14N2 (126.1156924)


   

Allyl methacrylate

Allyl methacrylate

C7H10O2 (126.068076)


   

1-methyl-3-propyl-1,2-dihydroimidazol-1-ium

1-methyl-3-propyl-1,2-dihydroimidazol-1-ium

C7H14N2+ (126.1156924)


   

6,8-Diazabicyclo[3.2.2]nonane(9CI)

6,8-Diazabicyclo[3.2.2]nonane(9CI)

C7H14N2 (126.1156924)


   
   

1-cyclopropylimidazolidin-2-one

1-cyclopropylimidazolidin-2-one

C6H10N2O (126.07930900000001)


   

Ethyl 2-pentynoate

Ethyl 2-pentynoate

C7H10O2 (126.068076)


   
   

4-Oxocyclohexanecarbaldehyde

4-Oxocyclohexanecarbaldehyde

C7H10O2 (126.068076)


   

2,5-dimethylhexa-1,5-dien-3-ol

2,5-dimethylhexa-1,5-dien-3-ol

C8H14O (126.10445940000001)


   
   
   

(1,5-Dimethyl-1H-pyrazol-3-yl)methanol

(1,5-Dimethyl-1H-pyrazol-3-yl)methanol

C6H10N2O (126.07930900000001)


   

UNII:Q988C9BDWK

3,5-Dimethyl-1-hexyn-3-ol

C8H14O (126.10445940000001)


   
   

SPIRO[2.3]HEXANE-1-CARBOXYLIC ACID

SPIRO[2.3]HEXANE-1-CARBOXYLIC ACID

C7H10O2 (126.068076)


   

Methyl 3-cyclopentenecarboxylate

Methyl 3-cyclopentenecarboxylate

C7H10O2 (126.068076)


   
   

1-(1H-1,2,4-triazol-1-yl)propan-2-amine(SALTDATA: FREE)

1-(1H-1,2,4-triazol-1-yl)propan-2-amine(SALTDATA: FREE)

C5H10N4 (126.090542)


   

N-METHYL-1-(5-METHYLISOXAZOL-3-YL)METHANAMINE

N-METHYL-1-(5-METHYLISOXAZOL-3-YL)METHANAMINE

C6H10N2O (126.07930900000001)


   

Pentane,1,1,1-trifluoro-

Pentane,1,1,1-trifluoro-

C5H9F3 (126.065631)


   
   
   

Octahydro-pyrrolo[1,2-a]pyrazine

Octahydro-pyrrolo[1,2-a]pyrazine

C7H14N2 (126.1156924)


   

cis-Octahydropyrrolo[3,4-b]pyridine

cis-Octahydropyrrolo[3,4-b]pyridine

C7H14N2 (126.1156924)


   
   

1-(3-Pyrrolidinyl)-cyclopropanamine

1-(3-Pyrrolidinyl)-cyclopropanamine

C7H14N2 (126.1156924)


   
   
   

3,5-dimethylpyrazole-1-methanol

3,5-dimethylpyrazole-1-methanol

C6H10N2O (126.07930900000001)


   

Acetylcyclopentanone

Acetylcyclopentanone

C7H10O2 (126.068076)


   

1,6-Heptadien-4-ol,4-methyl-

1,6-Heptadien-4-ol,4-methyl-

C8H14O (126.10445940000001)


   

3-(tert-Butylamino)propionitrile

3-(tert-Butylamino)propionitrile

C7H14N2 (126.1156924)


   

1-AZETIDIN-3-YLPYRROLIDINE??

1-AZETIDIN-3-YLPYRROLIDINE??

C7H14N2 (126.1156924)


   

(1-ethyl-1H-imidazol-2-yl)methanol

(1-ethyl-1H-imidazol-2-yl)methanol

C6H10N2O (126.07930900000001)


   

2-(1-Methyl-1H-pyrazol-5-yl)ethanol

2-(1-Methyl-1H-pyrazol-5-yl)ethanol

C6H10N2O (126.07930900000001)


   

Spiro[2,3-diazabicyclo[2.2.1]heptane-7,2-oxirane] (9CI)

Spiro[2,3-diazabicyclo[2.2.1]heptane-7,2-oxirane] (9CI)

C6H10N2O (126.07930900000001)


   

3-(butylamino)propionitrile

3-(butylamino)propionitrile

C7H14N2 (126.1156924)


   
   

n,n-dimethylaniline-2,3,4,5,6-d5

n,n-dimethylaniline-2,3,4,5,6-d5

C8H6D5N (126.12053049)


   

1-Cyclopropyl-1,3-butanedione

1-Cyclopropyl-1,3-butanedione

C7H10O2 (126.068076)


   

3-(1H-1,2,4-TRIAZOL-1-YL)PROPAN-1-AMINE HYDROCHLORIDE

3-(1H-1,2,4-TRIAZOL-1-YL)PROPAN-1-AMINE HYDROCHLORIDE

C5H10N4 (126.090542)


   

2,7-Diazaspiro[4.4]nonane

2,7-Diazaspiro[4.4]nonane

C7H14N2 (126.1156924)


   

Cyclooctanone

4-07-00-00049 (Beilstein Handbook Reference)

C8H14O (126.10445940000001)


   

2-Furanpropanol

2-Furanpropanol

C7H10O2 (126.068076)


   

2-phenylethan-1,1,2,2-d4-ol

2-phenylethan-1,1,2,2-d4-ol

C8H6D4O (126.098269712)


   
   
   

1,2,2,2-tetradeuterio-1-phenylethanol

1,2,2,2-tetradeuterio-1-phenylethanol

C8H6D4O (126.098269712)


   

2-Cyclopentylideneacetic acid

2-Cyclopentylideneacetic acid

C7H10O2 (126.068076)


   

1-Isopropyl-1H-1,2,3-triazol-4-amine

1-Isopropyl-1H-1,2,3-triazol-4-amine

C5H10N4 (126.090542)


   

1H-Imidazole-4,5-dimethanamine(9CI)

1H-Imidazole-4,5-dimethanamine(9CI)

C5H10N4 (126.090542)


   

(2-ethyl-1H-imidazol-5-yl)methanol

(2-ethyl-1H-imidazol-5-yl)methanol

C6H10N2O (126.07930900000001)


   

1,4-Diazabicyclo[5.2.0]nonane(9CI)

1,4-Diazabicyclo[5.2.0]nonane(9CI)

C7H14N2 (126.1156924)


   

3-METHYL-3,8-DIAZABICYCLO[3,2,1]OCTANE

3-METHYL-3,8-DIAZABICYCLO[3,2,1]OCTANE

C7H14N2 (126.1156924)


   

(3,5-Dimethylisoxazol-4-yl)methanamine

(3,5-Dimethylisoxazol-4-yl)methanamine

C6H10N2O (126.07930900000001)


   

3-(diethylamino)propionitrile

3-(diethylamino)propionitrile

C7H14N2 (126.1156924)


   

1,1-diacetylcyclopropane

1,1-diacetylcyclopropane

C7H10O2 (126.068076)


   

TERT-BUTYL 1-METHYL-2-PROPYNYL ETHER 9&

TERT-BUTYL 1-METHYL-2-PROPYNYL ETHER 9&

C8H14O (126.10445940000001)


   

N-tert-butyl-N-ethylmethanediimine

N-tert-butyl-N-ethylmethanediimine

C7H14N2 (126.1156924)


   

diisopropylcyanamide

diisopropylcyanamide

C7H14N2 (126.1156924)


   

(2,5-DIMETHYL-1,3-OXAZOL-4-YL)METHYLAMINE

(2,5-DIMETHYL-1,3-OXAZOL-4-YL)METHYLAMINE

C6H10N2O (126.07930900000001)


   

nicotinamide-2,4,5,6-d4

nicotinamide-2,4,5,6-d4

C6H2D4N2O (126.073119312)


   

1-Methoxy-4-methyl(2H4)benzene

1-Methoxy-4-methyl(2H4)benzene

C8H6D4O (126.098269712)


   
   

5-Methyl-1,3-cyclohexanedione

5-Methyl-1,3-cyclohexanedione

C7H10O2 (126.068076)


   
   

cis-5-Methyl-1H-hexahydropyrrolo[3,4-b]pyrrole

cis-5-Methyl-1H-hexahydropyrrolo[3,4-b]pyrrole

C7H14N2 (126.1156924)


   
   
   
   

3-oxabicyclo[2.2.2]octan-2-one

3-oxabicyclo[2.2.2]octan-2-one

C7H10O2 (126.068076)


   
   

CIS-3,5-DIMETHYLCYCLOHEXANONE

CIS-3,5-DIMETHYLCYCLOHEXANONE

C8H14O (126.10445940000001)


   

[1,1-bi(cyclopropane)]-1-carboxylic acid

[1,1-bi(cyclopropane)]-1-carboxylic acid

C7H10O2 (126.068076)


   

5,8-Diazaspiro[3.5]nonane

5,8-Diazaspiro[3.5]nonane

C7H14N2 (126.1156924)


   

8-methyl-3,8-diazabicyclo[3.2.1]octane

8-methyl-3,8-diazabicyclo[3.2.1]octane

C7H14N2 (126.1156924)


   

2-(5-METHYL-4H-1,2,4-TRIAZOL-3-YL)ETHANAMINE

2-(5-METHYL-4H-1,2,4-TRIAZOL-3-YL)ETHANAMINE

C5H10N4 (126.090542)


   

1H-Imidazole-1-ethanol,beta-methyl-(9CI)

1H-Imidazole-1-ethanol,beta-methyl-(9CI)

C6H10N2O (126.07930900000001)


   
   

5-ETHYL-3-METHYLENE-DIHYDRO-FURAN-2-ONE

5-ETHYL-3-METHYLENE-DIHYDRO-FURAN-2-ONE

C7H10O2 (126.068076)


   

cycloheptane-1,4-dione

cycloheptane-1,4-dione

C7H10O2 (126.068076)


   

1-Cyclopentene-1-carboxylic acid, 2-methyl- (6CI,9CI)

1-Cyclopentene-1-carboxylic acid, 2-methyl- (6CI,9CI)

C7H10O2 (126.068076)


   
   

QUINUCLIDIN-3-AMINE

QUINUCLIDIN-3-AMINE

C7H14N2 (126.1156924)


   
   

(4-Methylenecyclohexyl)methanol

(4-Methylenecyclohexyl)methanol

C8H14O (126.10445940000001)


   

2,5-dimethylcyclohexan-1-one

2,5-dimethylcyclohexan-1-one

C8H14O (126.10445940000001)


   
   
   

1-allylpiperazine

1-allylpiperazine

C7H14N2 (126.1156924)


   
   

(S,S)-2,8-Diazabicyclo[4,3,0]Nonane

(S,S)-2,8-Diazabicyclo[4,3,0]Nonane

C7H14N2 (126.1156924)


   

2,6-Dimethyl(O-2H4)phenol

2,6-Dimethyl(O-2H4)phenol

C8H6D4O (126.098269712)


   

Melamine-15N3

Melamine-15N3

C3H6N6 (126.0653916)


   

Methyl 2-hexynoate

Methyl 2-hexynoate

C7H10O2 (126.068076)


   

Spiro[cyclohexane-1,2-oxetane]

Spiro[cyclohexane-1,2-oxetane]

C8H14O (126.10445940000001)


   

3-Pyridinecarboxamide,1,4,5,6-tetrahydro-

3-Pyridinecarboxamide,1,4,5,6-tetrahydro-

C6H10N2O (126.07930900000001)


   

3-Cyclohexenecarboxylic acid

3-Cyclohexenecarboxylic acid

C7H10O2 (126.068076)


   

alpha-Methyl-2-furanethanol

alpha-Methyl-2-furanethanol

C7H10O2 (126.068076)


   

6-HYDRAZINOPYRIMIDINE-2,4(1H,3H)-DIONE

6-HYDRAZINOPYRIMIDINE-2,4(1H,3H)-DIONE

C6H10N2O (126.07930900000001)


   

1-Cyclohexen-1-ylboronic acid

1-Cyclohexen-1-ylboronic acid

C6H11BO2 (126.0852056)


   

(4,5-dimethyl-1,2,4-triazol-3-yl)methanamine

(4,5-dimethyl-1,2,4-triazol-3-yl)methanamine

C5H10N4 (126.090542)


   

1,4-Diazabicyclo[2.2.2]octan-2-one(9CI)

1,4-Diazabicyclo[2.2.2]octan-2-one(9CI)

C6H10N2O (126.07930900000001)


   
   

3-ethoxycyclopent-2-enone

3-ethoxycyclopent-2-enone

C7H10O2 (126.068076)


   

4-HYDROXY-PIPERIDINE-4-CARBONITRILE

4-HYDROXY-PIPERIDINE-4-CARBONITRILE

C6H10N2O (126.07930900000001)


   

2-CYCLOPENTEN-1-ONE ETHYLENE KETAL

2-CYCLOPENTEN-1-ONE ETHYLENE KETAL

C7H10O2 (126.068076)


   

6-oxabicyclo[3.2.1]octan-7-one

6-oxabicyclo[3.2.1]octan-7-one

C7H10O2 (126.068076)


   
   
   
   
   

3-ethyl-4-methyl-1,2-oxazol-5-amine

3-ethyl-4-methyl-1,2-oxazol-5-amine

C6H10N2O (126.07930900000001)


   

Octahydro-1H-pyrrolo[3,4-b]pyridine

Octahydro-1H-pyrrolo[3,4-b]pyridine

C7H14N2 (126.1156924)


   

(S)-(-)-3-Cyclohexenecarboxylic acid

(S)-(-)-3-Cyclohexenecarboxylic acid

C7H10O2 (126.068076)


   

METHYL 3-METHYLENECYCLOBUTANECARBOXYLATE

METHYL 3-METHYLENECYCLOBUTANECARBOXYLATE

C7H10O2 (126.068076)


   

1,4-Diazabicyclo[3.2.2]nonane

1,4-Diazabicyclo[3.2.2]nonane

C7H14N2 (126.1156924)


   

1,3,5-triazinane-2,4,6-triimine

1,3,5-triazinane-2,4,6-triimine

C3H6N6 (126.0653916)


   

3-(2-methylpropylamino)propanenitrile

3-(2-methylpropylamino)propanenitrile

C7H14N2 (126.1156924)


   

2-methylprop-2-enyl prop-2-enoate

2-methylprop-2-enyl prop-2-enoate

C7H10O2 (126.068076)


   

Hexahydrocyclopenta[c]pyrrol-2(1H)-amine

Hexahydrocyclopenta[c]pyrrol-2(1H)-amine

C7H14N2 (126.1156924)


   

1-Trimethylsilyl-1-butyne

1-Trimethylsilyl-1-butyne

C7H14Si (126.0864724)


   
   

2-Heptynoic acid

2-Heptynoic acid

C7H10O2 (126.068076)


   

2-Methyl-1,4-diazabicyclo[2.2.2]octane

2-Methyl-1,4-diazabicyclo[2.2.2]octane

C7H14N2 (126.1156924)


   

N-METHYL-1-(3-METHYLISOXAZOL-5-YL)METHANAMINE

N-METHYL-1-(3-METHYLISOXAZOL-5-YL)METHANAMINE

C6H10N2O (126.07930900000001)


   

1,7-Diazaspiro[4.4]nonane

1,7-Diazaspiro[4.4]nonane

C7H14N2 (126.1156924)


   

Piperazine, 2-cyclopropyl- (9CI)

Piperazine, 2-cyclopropyl- (9CI)

C7H14N2 (126.1156924)


   
   

5-propan-2-yl-1,2-oxazol-3-amine

5-propan-2-yl-1,2-oxazol-3-amine

C6H10N2O (126.07930900000001)


   
   
   

1-METHYL-1-(TRIMETHYLSILYL)ALLENE

1-METHYL-1-(TRIMETHYLSILYL)ALLENE

C7H14Si (126.0864724)


   

cis-2-Methylhexahydropyrrolo[3,4-c]pyrrole

cis-2-Methylhexahydropyrrolo[3,4-c]pyrrole

C7H14N2 (126.1156924)


   

(S)-1,4-Diazabicyclo[4.3.0]nonane

(S)-1,4-Diazabicyclo[4.3.0]nonane

C7H14N2 (126.1156924)


   

ethyl 2-[(1E)-cyclopropylidene]acetate

ethyl 2-[(1E)-cyclopropylidene]acetate

C7H10O2 (126.068076)


   

6-Methyl-1,6-diazaspiro[3.4]octane

6-Methyl-1,6-diazaspiro[3.4]octane

C7H14N2 (126.1156924)


   

1-Methyl-1,6-diazaspiro[3.4]octane

1-Methyl-1,6-diazaspiro[3.4]octane

C7H14N2 (126.1156924)


   

tetrahydropyrazolo[1,2-a]pyrazol-1(5H)-one

tetrahydropyrazolo[1,2-a]pyrazol-1(5H)-one

C6H10N2O (126.07930900000001)


   

PYRROLIDINE-3-CARBALDEHYDE

PYRROLIDINE-3-CARBALDEHYDE

C7H14N2 (126.1156924)


   

5-(2-Aminoethyl)-1H-imidazol-2-amine

5-(2-Aminoethyl)-1H-imidazol-2-amine

C5H10N4 (126.090542)


   

1,3,5-triazine-2,4,6-triamine

1,3,5-triazine-2,4,6-triamine

C3H6N6 (126.0653916)


   

2-amino-2,4-dimethylvaleronitrile

2-amino-2,4-dimethylvaleronitrile

C7H14N2 (126.1156924)


   

1-methyl-3-methylidenecyclobutane-1-carboxylic acid

1-methyl-3-methylidenecyclobutane-1-carboxylic acid

C7H10O2 (126.068076)


   

OCTAHYDROCYCLOPENTAL [C] PYRROL-5-AMINE

OCTAHYDROCYCLOPENTAL [C] PYRROL-5-AMINE

C7H14N2 (126.1156924)


   

1,3-Cycloheptanedione

1,3-Cycloheptanedione

C7H10O2 (126.068076)


   

(R)-1,4-Diazabicyclo[4.3.0]nonane

(R)-1,4-Diazabicyclo[4.3.0]nonane

C7H14N2 (126.1156924)


   
   

2-Oxocyclohexanecarbaldehyde

2-Oxocyclohexanecarbaldehyde

C7H10O2 (126.068076)


   

3-(1H-pyrazol-4-yl)-1-propanol(SALTDATA: FREE)

3-(1H-pyrazol-4-yl)-1-propanol(SALTDATA: FREE)

C6H10N2O (126.07930900000001)


   

(1-Ethyl-1H-pyrazol-5-yl)methanol

(1-Ethyl-1H-pyrazol-5-yl)methanol

C6H10N2O (126.07930900000001)


   
   

1H-Azepine,hexahydro-1-(iminomethyl)-(9CI)

1H-Azepine,hexahydro-1-(iminomethyl)-(9CI)

C7H14N2 (126.1156924)


   

N-{4-[4-(PIPERIDINOMETHYL)PYRIDYL-2-OXY]-CIS-2-BUTENE}PHTHALIMIDE MALEIC ACID

N-{4-[4-(PIPERIDINOMETHYL)PYRIDYL-2-OXY]-CIS-2-BUTENE}PHTHALIMIDE MALEIC ACID

C7H14N2 (126.1156924)


   
   

3-Aminoquinuclidine

3-Aminoquinuclidine

C7H14N2 (126.1156924)


   

(1R,6S)-4-methyl-4,7-diazabicyclo[4.2.0]octane

(1R,6S)-4-methyl-4,7-diazabicyclo[4.2.0]octane

C7H14N2 (126.1156924)


   
   
   

Methyl 5-hexynoate

Methyl 5-hexynoate

C7H10O2 (126.068076)


   
   

Filbertone

5-Methyl-2-hepten-4-one

C8H14O (126.10445940000001)


Filbertone, also known as 5-methylhept-2-en-4-one, is a member of the class of compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. Filbertone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Filbertone is a sweet, filbert, and hazelnut tasting compound found in common hazelnut, which makes filbertone a potential biomarker for the consumption of this food product. Filbertone is the principal flavor compound of hazelnuts. It is used in perfumery and is designated as generally recognized as safe (GRAS) for use in foods .

   
   

2-(1-Methyl-1H-pyrazol-4-yl)ethanol

2-(1-Methyl-1H-pyrazol-4-yl)ethanol

C6H10N2O (126.07930900000001)


   
   

TERT-BUTYL PROPIOLATE

TERT-BUTYL PROPIOLATE

C7H10O2 (126.068076)


   

3-cyclopropylbut-2-enoic acid

3-cyclopropylbut-2-enoic acid

C7H10O2 (126.068076)


   

2,4-octadien-1-ol

2,4-Octadien-1-ol, (2E,4E)-

C8H14O (126.10445940000001)


   
   
   

(E)-2-(4-CHLOROSTYRYL)QUINOLINE

(E)-2-(4-CHLOROSTYRYL)QUINOLINE

C8H14O (126.10445940000001)


   
   

2,2,5-Trimethylcyclopentanone

Cyclopentanone,2,2,5-trimethyl-

C8H14O (126.10445940000001)


   
   

1-Vinylcyclohexanol

Cyclohexanol,1-ethenyl-

C8H14O (126.10445940000001)


   
   

(1,4-DIMETHYL-1H-PYRAZOL-3-YL)METHANOL

(1,4-DIMETHYL-1H-PYRAZOL-3-YL)METHANOL

C6H10N2O (126.07930900000001)


   
   

1,4-Diazabicyclo[3.2.1]octan-2-one(9CI)

1,4-Diazabicyclo[3.2.1]octan-2-one(9CI)

C6H10N2O (126.07930900000001)


   

MelaMine-13C3

MelaMine-13C3

C3H6N6 (126.0653916)


   

(2-CHLORO-6-METHYL-PYRIMIDIN-4-YL)-CYCLOPROPYL-AMINE

(2-CHLORO-6-METHYL-PYRIMIDIN-4-YL)-CYCLOPROPYL-AMINE

C7H14N2 (126.1156924)


   

(1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxaMide

(1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxaMide

C6H10N2O (126.07930900000001)


   
   

2-Ethyl-1,3-cyclopentanedione

2-Ethyl-1,3-cyclopentanedione

C7H10O2 (126.068076)


   

2-methyl-2-azabicyclo[2.2.1]heptan-5-amine

2-methyl-2-azabicyclo[2.2.1]heptan-5-amine

C7H14N2 (126.1156924)


   

2-(hydroxymethylene)cyclohexanone

2-(hydroxymethylene)cyclohexanone

C7H10O2 (126.068076)


   
   
   

Methyl cyclopentene-1-carboxylate

Methyl cyclopentene-1-carboxylate

C7H10O2 (126.068076)


   

(1,3-dimethyl-1H-pyrazol-5-yl)methanol

(1,3-dimethyl-1H-pyrazol-5-yl)methanol

C6H10N2O (126.07930900000001)


   

4-AMINOTETRAHYDRO-2H-PYRAN-4-CARBONITRILE

4-AMINOTETRAHYDRO-2H-PYRAN-4-CARBONITRILE

C6H10N2O (126.07930900000001)


   

1-Pentyn-3-ol,3,4,4-trimethyl-

1-Pentyn-3-ol,3,4,4-trimethyl-

C8H14O (126.10445940000001)


   

pent-4-ynyl acetate

pent-4-ynyl acetate

C7H10O2 (126.068076)


   

N,N-Diisopropylcarbodiimide

N,N′-diisopropylcarbodiimide

C7H14N2 (126.1156924)


   

1-(1-Methylpyrazol-4-yl)ethanol

1-(1-Methylpyrazol-4-yl)ethanol

C6H10N2O (126.07930900000001)


   

7-benzyl-2,7-diazaspiro[3.5]nonane

7-benzyl-2,7-diazaspiro[3.5]nonane

C7H14N2 (126.1156924)


   

Octahydro-1-methyl-pyrrolo[3,4-b]pyrrole

Octahydro-1-methyl-pyrrolo[3,4-b]pyrrole

C7H14N2 (126.1156924)


   

7-Aminoheptanenitrile

7-Aminoheptanenitrile

C7H14N2 (126.1156924)


   

(1R,3S,5R)-2-Azabicyclo[3.1.0]hexane-3-carboxamide

(1R,3S,5R)-2-Azabicyclo[3.1.0]hexane-3-carboxamide

C6H10N2O (126.07930900000001)


   

2,6-Dimethyl-4,5-dihydropyridazin-3(2H)-one

2,6-Dimethyl-4,5-dihydropyridazin-3(2H)-one

C6H10N2O (126.07930900000001)


   

1-CYCLOPENTYL-2-PROPEN-1-OL

1-CYCLOPENTYL-2-PROPEN-1-OL

C8H14O (126.10445940000001)


   
   
   

bis(cyclopropylmethyl) ether

bis(cyclopropylmethyl) ether

C8H14O (126.10445940000001)


   

3-Cyclohexene-1-methanol,1-methyl-

3-Cyclohexene-1-methanol,1-methyl-

C8H14O (126.10445940000001)


   

1H-Pyrazole-3-ethanol,5-methyl-

1H-Pyrazole-3-ethanol,5-methyl-

C6H10N2O (126.07930900000001)


   

2-(ALLYLOXY)-1,2-OXABOROLANE

2-(ALLYLOXY)-1,2-OXABOROLANE

C6H11BO2 (126.0852056)


   
   

2-methyloctahydropyrrolo[3,4-c]pyrrole

2-methyloctahydropyrrolo[3,4-c]pyrrole

C7H14N2 (126.1156924)


   

1-Cyclopropylpiperazine

1-Cyclopropylpiperazine

C7H14N2 (126.1156924)


   
   

6-methyl-3-cyclohexene-1-methanol

6-methyl-3-cyclohexene-1-methanol

C8H14O (126.10445940000001)


   

1-(2-HYDROXY-ETHOXYMETHYL)-2-THIOXO-2,3-DIHYDRO-1H-PYRIMIDIN-4-ONE

1-(2-HYDROXY-ETHOXYMETHYL)-2-THIOXO-2,3-DIHYDRO-1H-PYRIMIDIN-4-ONE

C6H10N2O (126.07930900000001)


   

4-hydroxypiperidine-1-carbonitrile

4-hydroxypiperidine-1-carbonitrile

C6H10N2O (126.07930900000001)


   

2H-Pyran-4-ol, 4-ethynyltetrahydro- (9CI)

2H-Pyran-4-ol, 4-ethynyltetrahydro- (9CI)

C7H10O2 (126.068076)


   

3-(alpha-aminoethyl)-5-methyl-4H-1,2,4-triazole

3-(alpha-aminoethyl)-5-methyl-4H-1,2,4-triazole

C5H10N4 (126.090542)


   

CHEMBRDG-BB 4018382

CHEMBRDG-BB 4018382

C5H10N4 (126.090542)


   

1-propyl-1,2,4-triazol-3-amine

1-propyl-1,2,4-triazol-3-amine

C5H10N4 (126.090542)


   
   

(3aS,6aS)-1-Methyl-hexahydro-2H-pyrrolo[2,3-c]pyrrole

(3aS,6aS)-1-Methyl-hexahydro-2H-pyrrolo[2,3-c]pyrrole

C7H14N2 (126.1156924)


   

N-(2-Cyanoethyl)-N-methylacetamide

N-(2-Cyanoethyl)-N-methylacetamide

C6H10N2O (126.07930900000001)


   

3-(1H-Imidazol-1-yl)-1-propanol

3-(1H-Imidazol-1-yl)-1-propanol

C6H10N2O (126.07930900000001)


   

5-(HYDRAZINYLMETHYL)-1-METHYL-1H-IMIDAZOLE

5-(HYDRAZINYLMETHYL)-1-METHYL-1H-IMIDAZOLE

C5H10N4 (126.090542)


   

quinuclidin-4-amine

quinuclidin-4-amine

C7H14N2 (126.1156924)


   

1H-Pyrazole-4,5-diamine,N5,1-dimethyl-(9CI)

1H-Pyrazole-4,5-diamine,N5,1-dimethyl-(9CI)

C5H10N4 (126.090542)


   

N-Hydroxy-3-methylenecyclobutanecarboximidamide

N-Hydroxy-3-methylenecyclobutanecarboximidamide

C6H10N2O (126.07930900000001)


   

2,2,4-Trimethylcyclopentanone

2,2,4-trimethylcyclopentan-1-one

C8H14O (126.10445940000001)


   

2-ETHOXY-QUINOLINE-3-CARBALDEHYDE

2-ETHOXY-QUINOLINE-3-CARBALDEHYDE

C5H10N4 (126.090542)


   
   

3-Methoxy-2-cyclohexen-1-one

3-Methoxy-2-cyclohexen-1-one

C7H10O2 (126.068076)


   

(1-ETHYL-1H-PYRAZOL-4-YL)METHANOL

(1-ETHYL-1H-PYRAZOL-4-YL)METHANOL

C6H10N2O (126.07930900000001)


   

(1,3-DIMETHYL-1H-PYRAZOL-4-YL)METHANOL

(1,3-DIMETHYL-1H-PYRAZOL-4-YL)METHANOL

C6H10N2O (126.07930900000001)


   

(3aR,6aR)-1-Methyl-hexahydropyrrolo[3,4-b]pyrrole

(3aR,6aR)-1-Methyl-hexahydropyrrolo[3,4-b]pyrrole

C7H14N2 (126.1156924)


   

N,N,1-trimethyl-1,2,4-triazol-3-amine

N,N,1-trimethyl-1,2,4-triazol-3-amine

C5H10N4 (126.090542)


   
   

(Z)-2-octenal

2-Octenal, (2Z)-

C8H14O (126.10445940000001)


Flavouring compound [Flavornet]

   
   

6-Heptyne-2,5-diamine

6-Heptyne-2,5-diamine

C7H14N2 (126.1156924)


D004791 - Enzyme Inhibitors > D065108 - Ornithine Decarboxylase Inhibitors D000970 - Antineoplastic Agents

   
   

(2Z)-5-Methyl-2-hepten-4-one

(2Z)-5-Methyl-2-hepten-4-one

C8H14O (126.10445940000001)


   
   

2-Ethyl-3-propylacrolein, (Z)-

2-Ethyl-3-propylacrolein, (Z)-

C8H14O (126.10445940000001)


   
   
   

1,5-Diazabicyclo[3.3.1]nonane

1,5-Diazabicyclo[3.3.1]nonane

C7H14N2 (126.1156924)


   

5,5-Dimethyl-3-methylenedihydrofuran-2-one

5,5-Dimethyl-3-methylenedihydrofuran-2-one

C7H10O2 (126.068076)


   

1,5-Diazabicyclo[3.2.2]nonane

1,5-Diazabicyclo[3.2.2]nonane

C7H14N2 (126.1156924)


   
   

Cyclopentanone dimethylhydrazone

Cyclopentanone dimethylhydrazone

C7H14N2 (126.1156924)


   
   
   
   

1-Piperidinamine, N-ethylidene-

1-Piperidinamine, N-ethylidene-

C7H14N2 (126.1156924)


   

2-Pyrazoline, 5-ethyl-1,4-dimethyl-

2-Pyrazoline, 5-ethyl-1,4-dimethyl-

C7H14N2 (126.1156924)


   

1-Methyl-4-propyl-2-pyrazoline

1-Methyl-4-propyl-2-pyrazoline

C7H14N2 (126.1156924)


   

1-Isopropyl-5-methyl-2-pyrazoline

1-Isopropyl-5-methyl-2-pyrazoline

C7H14N2 (126.1156924)


   

2-Pyrazoline, 1-isopropyl-3-methyl-

2-Pyrazoline, 1-isopropyl-3-methyl-

C7H14N2 (126.1156924)


   

3-Methyl-1-propyl-2-pyrazoline

3-Methyl-1-propyl-2-pyrazoline

C7H14N2 (126.1156924)


   

2-Propanone, methyl-2-propenylhydrazone

2-Propanone, methyl-2-propenylhydrazone

C7H14N2 (126.1156924)


   

1H-Pyrazole, 3-ethyl-4,5-dihydro-1,4-dimethyl-

1H-Pyrazole, 3-ethyl-4,5-dihydro-1,4-dimethyl-

C7H14N2 (126.1156924)


   

5-Ethyl-3,5-dimethyl-1,4-dihydropyrazole

5-Ethyl-3,5-dimethyl-1,4-dihydropyrazole

C7H14N2 (126.1156924)


   

4-Fluorobenzylammonium

4-Fluorobenzylammonium

C7H9FN+ (126.0718986)


   

6-Amino-1-methyl-2-oxo-2,3-dihydropyrimidin-1-ium

6-Amino-1-methyl-2-oxo-2,3-dihydropyrimidin-1-ium

C5H8N3O+ (126.0667338)


   

1669-44-9

trans-3-Octen-2-one

C8H14O (126.10445940000001)


   

2-octenal

trans-2-Octen-1-al

C8H14O (126.10445940000001)


   

Sulcatone

4-01-00-03493 (Beilstein Handbook Reference)

C8H14O (126.10445940000001)


A heptenone that is hept-5-en-2-one substituted by a methyl group at position 6. It is a volatile oil component of citronella oil, lemon-grass oil and palmarosa oil. Sulcatone is an endogenous metabolite. Sulcatone is an endogenous metabolite.

   

4643-27-0

2-Octen-4-one (natural)

C8H14O (126.10445940000001)


   

AI3-37821

1-Octen-3-one solution

C8H14O (126.10445940000001)


   

FR-0969

InChI=1\C8H14O\c1-3-5-6-8(4-2)7-9\h6-7H,3-5H2,1-2H3\b8-6

C8H14O (126.10445940000001)


   

AI3-25140

4-06-00-00222 (Beilstein Handbook Reference)

C8H14O (126.10445940000001)


   

83861-75-0

(2E,5E)-octa-2,5-dien-1-ol

C8H14O (126.10445940000001)


   

trans-Octen-2-al

trans-Octen-2-al

C8H14O (126.10445940000001)


Trans-octen-2-al, also known as (E)-2-octenal or 2-octenal, (E)-isomer, is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Thus, trans-octen-2-al is considered to be a fatty aldehyde lipid molecule. Trans-octen-2-al is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Trans-octen-2-al can be found in ginger and potato, which makes trans-octen-2-al a potential biomarker for the consumption of these food products.

   

6-Propyl-2,3,4,5-tetrahydropyridin-1-ium

6-Propyl-2,3,4,5-tetrahydropyridin-1-ium

C8H16N+ (126.1282676)


   

Methylhydrochinon

Methylhydrochinon

C7H10O2 (126.068076)


   

cis-Toluene dihydrodiol

cis-Toluene dihydrodiol

C7H10O2 (126.068076)


   
   

3,3-Dimethyl-1-cyclohexen-1-ol

3,3-Dimethyl-1-cyclohexen-1-ol

C8H14O (126.10445940000001)


   

4-Silaspiro[3.4]octane

4-Silaspiro[3.4]octane

C7H14Si (126.0864724)


   

Crotonaldehyde, isopropylhydrazone

Crotonaldehyde, isopropylhydrazone

C7H14N2 (126.1156924)


   

3-Buten-2-one, 3-methyl-, dimethylhydrazone

3-Buten-2-one, 3-methyl-, dimethylhydrazone

C7H14N2 (126.1156924)


   

Propanal, 2-methyl-, 2-propenylhydrazone

Propanal, 2-methyl-, 2-propenylhydrazone

C7H14N2 (126.1156924)


   

2,2,4-Trimethylcyclopentanone (5,5-D2)

2,2,4-Trimethylcyclopentanone (5,5-D2)

C8H14O (126.10445940000001)


   

1-Ethoxy-3-methyl-2,4-pentadiene

1-Ethoxy-3-methyl-2,4-pentadiene

C8H14O (126.10445940000001)


   

3-Methyl-2-butenylaldehyde dimethylhydrazone

3-Methyl-2-butenylaldehyde dimethylhydrazone

C7H14N2 (126.1156924)


   

Dimethylhydrazone tiglylaldehyde

Dimethylhydrazone tiglylaldehyde

C7H14N2 (126.1156924)


   

4-Ethenyl-4-methyloxolan-2-one

4-Ethenyl-4-methyloxolan-2-one

C7H10O2 (126.068076)


   
   

(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol

(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol

C7H10O2 (126.068076)


   
   

1-Cyclohexenecarboxylic Acid

1-Cyclohexene-1-carboxylic acid

C7H10O2 (126.068076)


   

N(tele)-methylhistaminium

N(tele)-methylhistaminium

C6H12N3+ (126.10311719999999)


Conjugate acid of N(tele)-methylhistamine. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

3,5-Dimethyl-1,2-cyclopentanedione

3,5-Dimethyl-1,2-cyclopentanedione

C7H10O2 (126.068076)


   

(Z)-oct-2-enal

(Z)-oct-2-enal

C8H14O (126.10445940000001)


The (Z)-isomer of oct-2-enal.

   

3-Ethyl-2-hydroxy-2-cyclopenten-1-one

3-Ethyl-2-hydroxy-2-cyclopenten-1-one

C7H10O2 (126.068076)


   

coffee dione

3-Methylcyclohexane-1,2-dione

C7H10O2 (126.068076)


   

2(3H)-Furanone, 5-ethenyldihydro-5-methyl-

2(3H)-Furanone, 5-ethenyldihydro-5-methyl-

C7H10O2 (126.068076)


   
   

UNII:IRJ0Q2WNHK

2,4,4-Trimethylcyclopentanone

C8H14O (126.10445940000001)


   

2(5H)-Furanone, 5-(1-methylethyl)-

2(5H)-Furanone, 5-(1-methylethyl)-

C7H10O2 (126.068076)


   

3-(3-Ethyloxiranyl)-2-propenal

3-(3-Ethyloxiranyl)-2-propenal

C7H10O2 (126.068076)


   

(Z)-2-ethyl-2-hexenal

(Z)-2-ethyl-2-hexenal

C8H14O (126.10445940000001)


A 2-ethyl-2-hexenal in which the double bond adopts a cis-configuration.

   
   
   
   

(S)-4-Methyl-1-hepten-3-one

(S)-4-Methyl-1-hepten-3-one

C8H14O (126.10445940000001)


   

(E)-2-ethyl-2-hexenal

(E)-2-ethyl-2-hexenal

C8H14O (126.10445940000001)


A 2-ethyl-2-hexenal in which the double bond adopts a trans-configuration.

   

(e)-Oct-2-enal

(e)-Oct-2-enal

C8H14O (126.10445940000001)


The (E)-isomer of oct-2-enal.

   

Heptynoic acid

Heptynoic acid

C7H10O2 (126.068076)


   
   

Methylcyclohexadienediol

Methylcyclohexadienediol

C7H10O2 (126.068076)


   

3-[(1r)-1-hydroxyethyl]cyclopent-2-en-1-one

3-[(1r)-1-hydroxyethyl]cyclopent-2-en-1-one

C7H10O2 (126.068076)


   
   
   
   
   

(4e)-hept-4-en-6-yne-2,3-diol

(4e)-hept-4-en-6-yne-2,3-diol

C7H10O2 (126.068076)


   

(2s)-2,4,4-trimethylcyclopentan-1-one

(2s)-2,4,4-trimethylcyclopentan-1-one

C8H14O (126.10445940000001)


   

1,6-octadien-3-ol

NA

C8H14O (126.10445940000001)


{"Ingredient_id": "HBIN001932","Ingredient_name": "1,6-octadien-3-ol","Alias": "NA","Ingredient_formula": "C8H14O","Ingredient_Smile": "CC=CCCC(C=C)O","Ingredient_weight": "126.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35510","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11040710","DrugBank_id": "NA"}

   

2,3-hexadienoic acid methyl ester

NA

C7H10O2 (126.068076)


{"Ingredient_id": "HBIN004099","Ingredient_name": "2,3-hexadienoic acid methyl ester","Alias": "NA","Ingredient_formula": "C7H10O2","Ingredient_Smile": "CCC=C=CC(=O)OC","Ingredient_weight": "126.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8924","PubChem_id": "44221879","DrugBank_id": "NA"}

   

2,4,4-trimethylcyclopentanone,9ci,8ci

NA

C8H14O (126.10445940000001)


{"Ingredient_id": "HBIN004219","Ingredient_name": "2,4,4-trimethylcyclopentanone,9ci,8ci","Alias": "NA","Ingredient_formula": "C8H14O","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "4694/12/6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8917","PubChem_id": "NA","DrugBank_id": "NA"}

   

2-methyl-2-Hepten-4-one

NA

C8H14O (126.10445940000001)


{"Ingredient_id": "HBIN005955","Ingredient_name": "2-methyl-2-Hepten-4-one","Alias": "NA","Ingredient_formula": "C8H14O","Ingredient_Smile": "CCCC(=O)C=C(C)C","Ingredient_weight": "126.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36733","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "31138","DrugBank_id": "NA"}

   

2-octenal(E)

NA

C8H14O (126.10445940000001)


{"Ingredient_id": "HBIN006226","Ingredient_name": "2-octenal(E)","Alias": "NA","Ingredient_formula": "C8H14O","Ingredient_Smile": "CCCCCC=CC=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40104","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3,4-dimethyl-3-hexen-2-one

NA

C8H14O (126.10445940000001)


{"Ingredient_id": "HBIN007443","Ingredient_name": "3,4-dimethyl-3-hexen-2-one","Alias": "NA","Ingredient_formula": "C8H14O","Ingredient_Smile": "CCC(=C(C)C(=O)C)C","Ingredient_weight": "126.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8280","PubChem_id": "5363236","DrugBank_id": "NA"}

   

4,4-Dimethyl-cyclohex-2-en-1-ol

NA

C8H14O (126.10445940000001)


{"Ingredient_id": "HBIN009950","Ingredient_name": "4,4-Dimethyl-cyclohex-2-en-1-ol","Alias": "NA","Ingredient_formula": "C8H14O","Ingredient_Smile": "CC1(CCC(C=C1)O)C","Ingredient_weight": "126.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40812","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "543508","DrugBank_id": "NA"}

   

BIHEPTADIENECARBOXYLIC ACID

17175-86-9; (2E,4E)-hepta-2,4-dienoic acid

C7H10O2 (126.068076)


{"Ingredient_id": "HBIN018503","Ingredient_name": "BIHEPTADIENECARBOXYLIC ACID","Alias": "17175-86-9; (2E,4E)-hepta-2,4-dienoic acid","Ingredient_formula": "C7H10O2","Ingredient_Smile": "CCC=CC=CC(=O)O","Ingredient_weight": "126.15","OB_score": "29.38190837","CAS_id": "17175-86-9","SymMap_id": "SMIT13336","TCMID_id": "NA","TCMSP_id": "MOL012592","TCM_ID_id": "NA","PubChem_id": "6433689","DrugBank_id": "NA"}

   
   

3-(2,3-dihydropyrrol-1-yl)propan-1-amine

3-(2,3-dihydropyrrol-1-yl)propan-1-amine

C7H14N2 (126.1156924)


   

(2e,4e)-2-methylhexa-2,4-dienoic acid

(2e,4e)-2-methylhexa-2,4-dienoic acid

C7H10O2 (126.068076)


   

(4r)-2,4-dimethyl-4,5-dihydrofuran-3-carbaldehyde

(4r)-2,4-dimethyl-4,5-dihydrofuran-3-carbaldehyde

C7H10O2 (126.068076)


   

3,6-dimethyl-3,4-dihydropyrazin-2-ol

3,6-dimethyl-3,4-dihydropyrazin-2-ol

C6H10N2O (126.07930900000001)


   

(2s,3s,4z)-hept-4-en-6-yne-2,3-diol

(2s,3s,4z)-hept-4-en-6-yne-2,3-diol

C7H10O2 (126.068076)


   

2-(cyclohex-2-en-1-yl)ethanol

2-(cyclohex-2-en-1-yl)ethanol

C8H14O (126.10445940000001)


   

4-hydroxy-6-methylcyclohex-2-en-1-one

4-hydroxy-6-methylcyclohex-2-en-1-one

C7H10O2 (126.068076)


   
   

(5s)-5-hydroxy-2,3-dimethylcyclopent-2-en-1-one

(5s)-5-hydroxy-2,3-dimethylcyclopent-2-en-1-one

C7H10O2 (126.068076)


   
   
   

(4r,6s)-4-hydroxy-6-methylcyclohex-2-en-1-one

(4r,6s)-4-hydroxy-6-methylcyclohex-2-en-1-one

C7H10O2 (126.068076)


   

2-ethyl-3h-furan-2-carbaldehyde

2-ethyl-3h-furan-2-carbaldehyde

C7H10O2 (126.068076)


   
   
   

3-(1-hydroxyethyl)cyclopent-2-en-1-one

3-(1-hydroxyethyl)cyclopent-2-en-1-one

C7H10O2 (126.068076)


   

2,5-dimethyl-3h-furan-2-carbaldehyde

2,5-dimethyl-3h-furan-2-carbaldehyde

C7H10O2 (126.068076)


   

(2s,3s,4e)-hept-4-en-6-yne-2,3-diol

(2s,3s,4e)-hept-4-en-6-yne-2,3-diol

C7H10O2 (126.068076)


   

(4z)-hept-4-en-6-yne-2,3-diol

(4z)-hept-4-en-6-yne-2,3-diol

C7H10O2 (126.068076)


   

hept-4-en-6-yne-2,3-diol

hept-4-en-6-yne-2,3-diol

C7H10O2 (126.068076)


   
   
   

(2z,4e)-2-methylhexa-2,4-dienoic acid

(2z,4e)-2-methylhexa-2,4-dienoic acid

C7H10O2 (126.068076)


   
   

(1r,2r)-4-methyl-5-methylidenecyclopent-3-ene-1,2-diol

(1r,2r)-4-methyl-5-methylidenecyclopent-3-ene-1,2-diol

C7H10O2 (126.068076)