Exact Mass: 158.1670562

Exact Mass Matches: 158.1670562

Found 312 metabolites which its exact mass value is equals to given mass value 158.1670562, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Pelargonic acid

nonanoic acid

C9H18O2 (158.1306728)


Nonanoic acid is a C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers. It has a role as an antifeedant, a plant metabolite, a Daphnia magna metabolite and an algal metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of a nonanoate. It derives from a hydride of a nonane. Nonanoic acid is a natural product found in Staphisagria macrosperma, Rhododendron mucronulatum, and other organisms with data available. Nonanoic Acid is a naturally-occurring saturated fatty acid with nine carbon atoms. The ammonium salt form of nonanoic acid is used as an herbicide. It works by stripping the waxy cuticle of the plant, causing cell disruption, cell leakage, and death by desiccation. Nonanoic acid is a metabolite found in or produced by Saccharomyces cerevisiae. Pelargonic acid, or nonanoic acid, is a fatty acid which occurs naturally as esters is the oil of pelargonium. Synthetic esters, such as methyl nonanoate, are used as flavorings. Pelargonic acid is an organic compound composed of a nine-carbon chain terminating in a carboxylic acid. It is an oily liquid with an unpleasant, rancid odor. It is nearly insoluble in water, but well soluble in chloroform and ether. The derivative 4-nonanoylmorpholine is an ingredient in some pepper sprays. A C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers. Nonanoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=112-05-0 (retrieved 2024-07-01) (CAS RN: 112-05-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2[1]. Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2[1].

   

N-Nitrosodibutylamine

N-Nitrosodibutylamine (NDBA)

C8H18N2O (158.1419058)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 3460 D009676 - Noxae > D002273 - Carcinogens

   

Decyl alcohol

N-Decyl alcohol, magnesium salt

C10H22O (158.1670562)


1-Decanol, or decyl alcohol, is a straight chain fatty alcohol with ten carbon atoms and the molecular formula CH3(CH2)9OH. It is a colorless viscous liquid that is insoluble in water. 1-Decanol has a strong odour. Decanol is used in the manufacture of plasticizers, lubricants, surfactants and solvents. Decanol causes a high irritability to skin and eyes, when splashed into the eyes it can cause permanent damage. Also inhalation and ingestion can be harmful, it can also function as a narcotic. It is also harmful to the environment. Isolated from plant sources, e.g. citrus oils, apple, coriander, babaco fruit (Carica pentagonia), wines, scallop and other foods

   

Methyl caprylate

Methyl caprylate, United States Pharmacopeia (USP) Reference Standard

C9H18O2 (158.1306728)


Methyl octanoate appears as a colorless liquid. Insoluble in water and about the same density as water. Used to make other chemicals. Methyl octanoate is a fatty acid methyl ester resulting from the formal condensation of the carboxy group of octanoic acid with the hydroxy group of methanol. It has a role as a metabolite. It is a fatty acid methyl ester and an octanoate ester. Methyl octanoate is a natural product found in Astragalus mongholicus, Achillea millefolium, and other organisms with data available. Methyl octanoate is a metabolite found in or produced by Saccharomyces cerevisiae. Methyl caprylate is found in chinese cinnamon. Methyl caprylate is a flavouring agent. Methyl caprylate is present in many fruits, e.g. apple, apricot, grape, blackberry, cherimoya etc Methyl caprylate is a flavouring agent. Present in many fruits, e.g. apple, apricot, grape, blackberry, cherimoya etc. It is also found in tea, chinese cinnamon and pepper (spice). A fatty acid methyl ester resulting from the formal condensation of the carboxy group of octanoic acid with the hydroxy group of methanol. Methyl octanoate, a volatile compound, is an aroma component persimmon wine[1]. Methyl octanoate, a volatile compound, is an aroma component persimmon wine[1].

   

Pentyl butanoate

Butanoic acid, pentyl ester

C9H18O2 (158.1306728)


Pentyl butanoate is found in apple. Pentyl butanoate is found in banana, apple and apricot fruits. Pentyl butanoate is used in food flavouring Pentyl butyrate, also known as pentyl butanoate or amyl butyrate, is an ester that is formed when pentanol is reacted with butyric acid, usually in the presence of sulfuric acid as a catalyst. This ester has a smell reminiscent of pear or apricot. This chemical is used as an additive in cigarettes. Found in banana, apple and apricot fruits. It is used in food flavouring

   

Heptyl acetate

Acetic acid N-heptyl ester

C9H18O2 (158.1306728)


Heptyl acetate, also known as heptanyl acetate and acetate C-7, is a colorless alcohol-soluble liquid that is the ester formed by the condensation of 1-heptanol and acetic acid. It can be found in alcoholic beverages. Heptyl acetate is present in apple, apricot, banana, orange peel, lemon peel, melon, Bartlett pears, other fruits, heated beef fat, ginger, wines and spirits. Present in apple, apricot, banana, orange peel, lemon peel, melon, Bartlett pears, other fruits, heated beef fat, ginger, wines and spirits. Flavouring ingredient

   

Oenanthic ether

Heptanoic acid, ethyl ester

C9H18O2 (158.1306728)


Found in fruits, e.g. apple, apricot, grapefruit, strawberry etcand is also present in pea, Parmesan cheese, butter, fish oil, hop oil, wine, Bantu beer, apple brandy. Flavouring agent; used in fruit aroma compositions Oenanthic ether is an odorous substance (ester) (PMID 15474656) present in human sweat (PMID 8887339).

   

(R)-Dihydrocitronellol

3,7-Dimethyloctan-1-ol, titanium salt

C10H22O (158.1670562)


Dihydrocitronellol, also known as 3,7-dimethyloctan-1-ol or tetrahydrogeraniol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, dihydrocitronellol is considered to be a fatty alcohol lipid molecule. Dihydrocitronellol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Dihydrocitronellol is an aldehydic, bitter, and citrus tasting compound found in lemon, which makes dihydrocitronellol a potential biomarker for the consumption of this food product. (R)-Dihydrocitronellol is a flavouring ingredien

   

Ethyl 5-methylhexanoate

Ethyl 5-methylhexanoic acid

C9H18O2 (158.1306728)


Ethyl 5-methylhexanoate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.

   

Butyl 2-methylbutanoate

Butanoic acid, 2-methyl-, butyl ester

C9H18O2 (158.1306728)


Butyl 2-methylbutanoate is a flavouring agent. Flavouring agent

   

2-Methylpropyl 3-methylbutanoate

Butanoic acid, 3-methyl-, 2-methylpropyl ester

C9H18O2 (158.1306728)


2-Methylpropyl 3-methylbutanoate is found in fig. 2-Methylpropyl 3-methylbutanoate is present in many plants. 2-Methylpropyl 3-methylbutanoate is a flavouring ingredient. Present in many plants. Flavouring ingredient. 2-Methylpropyl 3-methylbutanoate is found in roman camomile, fig, and pepper (spice).

   

Isoamyl butyrate

Butanoic acid, 3-methylbutyl ester

C9H18O2 (158.1306728)


Isoamyl butyrate, also known as isopentyl butanoate, is the butanoate ester of isoamylol. It derives from an isoamylol. Isoamyl butyrate belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Isoamyl butyrate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Isoamyl butyrate is a potentially toxic compound. It has a role as a metabolite. Present in fruit aromas, e.g. apricot, melon, mango etcand is) also present in wines, eucalyptus oil and coconut oil. It is used in fruit flavours. Isoamyl butyrate is found in many foods, some of which are fats and oils, fruits, apple, and roman camomile.

   

Octyl formate

Octyl alcohol, formate (6ci)

C9H18O2 (158.1306728)


Octyl formate is a fragrance and flavouring ingredient. It is found in Scotch spearmint oil and grilled or roast beef. It is also found in herbs and spices. Octyl formate is found in animal foods. Fragrance and flavouring ingredient. Octyl formate is present in Scotch spearmint oil and grilled or roast beef.

   

4-Methyloctanoic acid

(+/-)-4-methyloctanoIC ACID

C9H18O2 (158.1306728)


(±)-4-Methyloctanoic acid is a flavouring ingredien Flavouring ingredient 4-Methyloctanoic acid is a natural compound mainly responsible for the characteristic goaty sheepy flavour of sheep and goat milk[1].

   

xi-2-Ethylheptanoic acid

xi-2-Ethylheptanoic acid

C9H18O2 (158.1306728)


xi-2-Ethylheptanoic acid is found in fruits. xi-2-Ethylheptanoic acid is a constituent of starfruit (Averrhoa carambola) Constituent of starfruit (Averrhoa carambola). xi-2-Ethylheptanoic acid is found in fruits.

   

3-Decanol

1-Ethyl-1-octanol

C10H22O (158.1670562)


(±)-3-decanol, also known as ethyl heptyl carbinol or fema 3605, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, (±)-3-decanol is considered to be a fatty alcohol lipid molecule (±)-3-decanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (±)-3-decanol is a fatty, floral, and mushroom tasting compound found in spearmint, which makes (±)-3-decanol a potential biomarker for the consumption of this food product. 3-Decanol (CAS: 1565-81-7), also known as 3-hydroxydecane or 1-ethyl-1-octanol, belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. 3-Decanol is a flavouring ingredient.

   

Butyl 3-methylbutanoate

Butanoic acid, 3-methyl-, butyl ester

C9H18O2 (158.1306728)


Butyl 3-methylbutanoate is found in alcoholic beverages. Butyl 3-methylbutanoate is used in fruit flavouring. Butyl 3-methylbutanoate is present in apricot, banana, strawberries, Parmesan and gruyere de comte cheeses, white wine, olives, plums, jack fruit, cherimoga and lambs lettuc Butyl 3-methylbutanoate is used in fruit flavouring. It is found in alcoholic beverages, milk and milk products, and fruits.

   

3-Heptyl acetate

Heptan-3-yl acetic acid

C9H18O2 (158.1306728)


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

   

5-Methylhexyl acetate

Acetic acid,alkyl (C6 to C8)esters mixture

C9H18O2 (158.1306728)


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

   

3-Octyl formate

3-Octanol, formate (7ci,9ci)

C9H18O2 (158.1306728)


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

   

Propyl hexanoate

Hexanoic acid, propyl ester

C9H18O2 (158.1306728)


Flavouring ingredient. Constituent of apple, apricot, grapes, passion fruit, starfruit, mountain papaya, other fruits, cheeses and various alcoholic beverages. Propyl hexanoate is found in many foods, some of which are milk and milk products, alcoholic beverages, fruits, and pomes. Propyl hexanoate is found in alcoholic beverages. Propyl hexanoate is a flavouring ingredient. Propyl hexanoate is a constituent of apple, apricot, grapes, passion fruit, starfruit, mountain papaya, other fruits, cheeses and various alcoholic beverages.

   

Hexyl propionate

Propionic acid, hexyl ester

C9H18O2 (158.1306728)


Hexyl propionate is a flavouring ingredien Flavouring ingredient

   

3,7-Dimethyl-3-octanol

(±)-3,7-Dimethyl-3-octanol

C10H22O (158.1670562)


3,7-Dimethyl-3-octanol, also known as fema 3060 or tetrahydrolinalool, belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H). (±)-3,7-Dimethyl-3-octanol is a flavouring ingredient belonging to the family of Monoterpenes. These are compounds contaning a chain of two isoprene units. 3,7-Dimethyl-3-octanol is a potentially toxic compound. No indication of carcinogenicity to humans (not listed by IARC). Flavouring ingredient

   

3-Methylbutyl 2-methylpropanoate

Propanoic acid, 2-methyl-, 3-methylbutyl ester

C9H18O2 (158.1306728)


3-Methylbutyl 2-methylpropanoate is a flavouring ingredien Flavouring ingredient

   

1-Hydroxy-3-nonanone

2-Heptanoyl-1-ethanol

C9H18O2 (158.1306728)


1-Hydroxy-3-nonanone 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

   

3-(Hydroxymethyl)-2-octanone

3-(hydroxymethyl)octan-2-one

C9H18O2 (158.1306728)


3-(Hydroxymethyl)-2-octanone is a flavouring ingredient. Flavouring ingredient

   

4-Methyl-2-pentyl-1,3-dioxolane

Hexaldehyde propylene glycol acetal

C9H18O2 (158.1306728)


4-Methyl-2-pentyl-1,3-dioxolane is a flavouring ingredient. Flavouring ingredient

   

1-Methylbutyl butanoate

Butanoic acid, 1-methylbutyl ester

C9H18O2 (158.1306728)


1-Methylbutyl butanoate is found in fruits. 1-Methylbutyl butanoate is a food flavourant. 1-Methylbutyl butanoate is present in bananas, passion fruit and strawberry. 1-Methylbutyl butanoate is a flavouring agent. It is found in bananas, passion fruit and strawberry.

   

Butyl pentanoate

Pentanoic acid, butyl ester

C9H18O2 (158.1306728)


Butyl pentanoate is found in alcoholic beverages. Butyl pentanoate is present in apple, banana, blackberry, plum, jackfruit (Artocarpus heterophyllus), malt whisky and Bourbon vanilla. Butyl pentanoate is a flavouring agent. Present in apple, banana, blackberry, plum, jackfruit (Artocarpus heterophyllus), malt whisky and Bourbon vanilla. Flavouring agent. Butyl pentanoate is found in alcoholic beverages, pomes, and fruits.

   

Isopropyl hexanoate

Hexanoic acid, 1-methylethyl ester

C9H18O2 (158.1306728)


Isopropyl hexanoate is found in fruits. Isopropyl hexanoate is present in wine grapes, strawberry, starfruit (Averrhoa carambala), blue cheeses, gruyere de comte cheese and Parmesan cheese. Isopropyl hexanoate is a flavouring ingredient. Present in wine grapes, strawberry, starfruit (Averrhoa carambala), blue cheeses, gruyere de comte cheese and Parmesan cheese. Flavouring ingredient. Isopropyl hexanoate is found in milk and milk products and fruits.

   

(2-Ethyl-2,4,4-trimethyl-1,3-oxazolidin-3-yl)oxidanyl

(2-Ethyl-2,4,4-trimethyl-1,3-oxazolidin-3-yl)oxidanyl

C8H16NO2 (158.1180976)


   

2-Nonene-1,4-diol

1,4-Dihydroxy-2-nonene

C9H18O2 (158.1306728)


   

3,6-Dimethyl-3-octanol

Copoly(styrene-divinylbenzene)

C10H22O (158.1670562)


D001697 - Biomedical and Dental Materials

   

4-Hydroxynonanal

4-Hydroxynonanal

C9H18O2 (158.1306728)


   

4-Hydroxynonenol

non-1-ene-1,4-diol

C9H18O2 (158.1306728)


   

Dipentyl ether

1-(pentyloxy)pentane

C10H22O (158.1670562)


   

Ethyl-isopropyl ether

2-methyl-2-[(2-methylbutan-2-yl)oxy]butane

C10H22O (158.1670562)


   

Guanidine, (6-aminohexyl)-

Guanidine, (6-aminohexyl)-

C7H18N4 (158.1531388)


   

Monopropionylcadaverine

Monopropionylcadaverine monohydrochloride

C8H18N2O (158.1419058)


   

N-Acetyl-1,6-diaminohexane

N-(6-Aminohexyl)ethanimidate

C8H18N2O (158.1419058)


   
   

2,3,4,4-Tetramethylpentane-2,3-diamine

2,3,4,4-Tetramethylpentane-2,3-diamine

C9H22N2 (158.1782892)


   

2-Methylbutylbutyrate

2-Methylbutyl butanoic acid

C9H18O2 (158.1306728)


2-methylbutylbutyrate is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Thus, 2-methylbutylbutyrate is considered to be a fatty ester lipid molecule. 2-methylbutylbutyrate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-methylbutylbutyrate can be found in roman camomile, which makes 2-methylbutylbutyrate a potential biomarker for the consumption of this food product.

   

Isobutyl-2-methylbutyrate

2-Methylpropyl 2-methylbutanoate

C9H18O2 (158.1306728)


Isobutyl-2-methylbutyrate is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Thus, isobutyl-2-methylbutyrate is considered to be a fatty ester lipid molecule. Isobutyl-2-methylbutyrate is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isobutyl-2-methylbutyrate can be found in roman camomile and spearmint, which makes isobutyl-2-methylbutyrate a potential biomarker for the consumption of these food products.

   

2-Heptyl acetate

1-Methylhexyl acetic acid

C9H18O2 (158.1306728)


2-heptyl acetate is a member of the class of compounds known as carboxylic acid esters. Carboxylic acid esters are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). 2-heptyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-heptyl acetate can be found in cloves, which makes 2-heptyl acetate a potential biomarker for the consumption of this food product. Heptyl acetate is used as a fruit essence flavoring in foods and as a scent in perfumes. It has a woody, fruity, rumlike odor and a spicy, floral taste with a soapy, fatty texture .

   

Decan-2-ol

2-Hydroxydecane

C10H22O (158.1670562)


Decan-2-ol, also known as 2-decanol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Decan-2-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Decan-2-ol can be found in corn, which makes decan-2-ol a potential biomarker for the consumption of this food product.

   

Sodium zinc metasilicate

Sodium zinc metasilicic acid

C9H18O2 (158.1306728)


It is used as a food additive .

   

FA 9:0

pelargonic acid

C9H18O2 (158.1306728)


D000890 - Anti-Infective Agents > D000935 - Antifungal Agents Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2[1]. Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2[1].

   
   

Pentyl isobutyrate

Pentyl 2-methylpropanoate

C9H18O2 (158.1306728)


   

isobutyl 2-methyl butyrate

2-Methylpropyl 2-methylbutanoate

C9H18O2 (158.1306728)


   

2-Propylheptanol

2-Propylheptanol

C10H22O (158.1670562)


   

2-Methylbutyl isobutyrate

methyl-2-butyl-iso-butyrate

C9H18O2 (158.1306728)


   

Methyl 3-ethyl-4-methylpentanoate

Methyl 3-ethyl-4-methylpentanoate

C9H18O2 (158.1306728)


   

6-oxo-1-nonanol

6-oxo-1-nonanol

C9H18O2 (158.1306728)


   

1-Hydroxy-5-nonanone

1-Hydroxy-5-nonanone

C9H18O2 (158.1306728)


   

2-DECANOL

2-Hydroxydecane

C10H22O (158.1670562)


   
   

4-Methyl-5-nonanol

4-Methyl-5-nonanol

C10H22O (158.1670562)


   

methyl 6-methylheptanoate

methyl 6-methylheptanoate

C9H18O2 (158.1306728)


   

Methyl 2-ethylhexanoate

Methyl 2-ethylhexanoate

C9H18O2 (158.1306728)


   

4-Methylnonan-1-ol

4-Methylnonan-1-ol

C10H22O (158.1670562)


   
   

2-methoxynonane

2-methoxynonane

C10H22O (158.1670562)


   

2-Methyl-5-nonanol

2-Methyl-5-nonanol

C10H22O (158.1670562)


   

8-methylnonan-2-ol

8-methylnonan-2-ol

C10H22O (158.1670562)


   

7-methylnonan-2-ol

7-methylnonan-2-ol

C10H22O (158.1670562)


   

1-Methoxynonane

1-Methoxynonane

C10H22O (158.1670562)


   

5-pentyloxolan-2-ol

5-pentyloxolan-2-ol

C9H18O2 (158.1306728)


   

2,3,4,4-tetramethylhexan-2-ol

2,3,4,4-tetramethylhexan-2-ol

C10H22O (158.1670562)


   

sec-heptyl acetate

1-Methylhexyl acetate

C9H18O2 (158.1306728)


   

2-Nonanone, 9-hydroxy-

2-Nonanone, 9-hydroxy-

C9H18O2 (158.1306728)


   

2-Methyloctanoic acid

2-Methyloctanoic acid

C9H18O2 (158.1306728)


   

6-methyloctanoic acid

6-methyloctanoic acid

C9H18O2 (158.1306728)


   

Oenanthic ether

ETHYL HEPTANOATE

C9H18O2 (158.1306728)


   

Nonanoic acid

pelargonic acid

C9H18O2 (158.1306728)


Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2[1]. Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2[1].

   
   

Perlargonic acid

Perlargonic acid

C9H18O2 (158.1306728)


CONFIDENCE standard compound; INTERNAL_ID 239

   
   

4-methyl-octanoic acid

4-methyl-octanoic acid

C9H18O2 (158.1306728)


   

d-6-methyl-octanoic acid

d-6-methyl-octanoic acid

C9H18O2 (158.1306728)


   

6-methyl-octanoic acid

(+)-6-methyl caprylic acid

C9H18O2 (158.1306728)


   

7-methyl caprylic acid

7-methyl-octanoic acid

C9H18O2 (158.1306728)


   

2-methyl-octanoic acid

2-methyl-octanoic acid

C9H18O2 (158.1306728)


   

6-oxo-Nonan-1-ol

6-oxo-Nonan-1-ol

C9H18O2 (158.1306728)


   

Heptylacetat

Heptyl acetate

C9H18O2 (158.1306728)


   

Cognac oil

Enanthic acid ethyl ester

C9H18O2 (158.1306728)


   

2-isopropyl-hexanoic acid

2-isopropyl-hexanoic acid

C9H18O2 (158.1306728)


   

3,5,5-trimethyl-hexanoic acid

3,5,5-trimethyl-hexanoic acid

C9H18O2 (158.1306728)


   

3-methyl-octanoic acid

3-methyl-octanoic acid

C9H18O2 (158.1306728)


   

5-methyl-octanoic acid

5-methyl-octanoic acid

C9H18O2 (158.1306728)


   

d-6-Methyloctanoic acid

d-6-Methyloctanoic acid

C9H18O2 (158.1306728)


   

7:0(6Me,6Me)

6,6-dimethyl-hexanoic acid

C9H18O2 (158.1306728)


   

2-ethylheptanoic acid

xi-2-Ethylheptanoic acid

C9H18O2 (158.1306728)


   

Uniphat A20

4-02-00-00986 (Beilstein Handbook Reference)

C9H18O2 (158.1306728)


Methyl octanoate, a volatile compound, is an aroma component persimmon wine[1]. Methyl octanoate, a volatile compound, is an aroma component persimmon wine[1].

   

3-decanol

Heptyl ethyl carbinol

C10H22O (158.1670562)


   

Butyl isovalerate

Butanoic acid, 3-methyl-, butyl ester

C9H18O2 (158.1306728)


   

3-Heptyl acetate

1-Butylpentyl acetate

C9H18O2 (158.1306728)


   

5-Methylhexyl acetate

Acetic acid,alkyl (C6 to C8)esters mixture

C9H18O2 (158.1306728)


   

3-Octyl formate

3-Octanol, formate (7ci,9ci)

C9H18O2 (158.1306728)


   

Amyl butyrate

Butanoic acid, pentyl ester

C9H18O2 (158.1306728)


The butyrate ester of pentan-1-ol.

   

Propyl caproate

Hexanoic acid, propyl ester

C9H18O2 (158.1306728)


   

Hexyl propionate

Propionic acid, hexyl ester

C9H18O2 (158.1306728)


   

tetrahydrolinalool

2,6-Dimethyl-6-octanol

C10H22O (158.1670562)


   

Pelargol

3,7-Dimethyl-(.+/-.)-1-octanol

C10H22O (158.1670562)


   

Isoamyl isobutyrate

Propanoic acid, 2-methyl-, 3-methylbutyl ester

C9H18O2 (158.1306728)


A fatty acid ester obtained by the formal condensation of isoamylol with isobutyric acid.

   

3-Nonanon-1-ol

2-Heptanoyl-1-ethanol

C9H18O2 (158.1306728)


   

FEMA 3292

3-(hydroxymethyl)octan-2-one

C9H18O2 (158.1306728)


   

UNII:LJ67NF091T

Hexaldehyde propylene glycol acetal

C9H18O2 (158.1306728)


   

Isobutylisovalerate

Butanoic acid, 3-methyl-, 2-methylpropyl ester

C9H18O2 (158.1306728)


   

Octyl formate

Octyl alcohol, formate (6ci)

C9H18O2 (158.1306728)


A formate ester of octan-1-ol.

   

fema 3393

Butanoic acid, 2-methyl-, butyl ester

C9H18O2 (158.1306728)


   

FEMA 3893

Butanoic acid, 1-methylbutyl ester

C9H18O2 (158.1306728)


   

Isoamyl butyrate

Butanoic acid, 3-methylbutyl ester

C9H18O2 (158.1306728)


The butanoate ester of isoamylol.

   

Butyl Valerate

Pentanoic acid, butyl ester

C9H18O2 (158.1306728)


   

Isopropyl caproate

Hexanoic acid, 1-methylethyl ester

C9H18O2 (158.1306728)


   

4S,5S-ferrugineol

(4S,5S)-4-Methylnonan-5-ol

C10H22O (158.1670562)


   

6-Methylnonan-3-ol

6-Methylnonan-3-ol

C10H22O (158.1670562)


   
   

WE(3:0(2Me)/4:0(2Me))

2-Methylpropyl 2-methylbutanoate

C9H18O2 (158.1306728)


   

WE(4:0(2Me)/3:0(2Me))

2-Methylbutyl 2-methylpropionate

C9H18O2 (158.1306728)


   

2-methylbutyl butyrate

2-methylbutyl butyrate

C9H18O2 (158.1306728)


   

FA 9:0

3,5,5-trimethyl-hexanoic acid

C9H18O2 (158.1306728)


   

decanol

Alcohols, C8-10

C10H22O (158.1670562)


   

FOH 10:0

(4S,5S)-4-Methylnonan-5-ol

C10H22O (158.1670562)


   

FOH 9:1;O

3-(hydroxymethyl)octan-2-one

C9H18O2 (158.1306728)


   

WE 9:0

2-Methylpropyl 3-methylbutanoate

C9H18O2 (158.1306728)


   

SFE 9:0

N-caproic acid isopropyl ester

C9H18O2 (158.1306728)


   

2-(dimethylamino)-N,N-diethylacetamide

2-(dimethylamino)-N,N-diethylacetamide

C8H18N2O (158.1419058)


   
   

2-METHYL-4-NONANOL

2-METHYL-4-NONANOL

C10H22O (158.1670562)


   

2-METHYL-3-NONANOL

2-METHYL-3-NONANOL

C10H22O (158.1670562)


   

2-ethyl-2-methylcaproic acid

2-ethyl-2-methylcaproic acid

C9H18O2 (158.1306728)


   
   

4,7-dimethyl-4-octanol

4,7-dimethyl-4-octanol

C10H22O (158.1670562)


   

N,N-diethylpentane-1,5-diamine

N,N-diethylpentane-1,5-diamine

C9H22N2 (158.1782892)


   

N,N-DIISOPROPYL-1,3-PROPANEDIAMINE

N,N-DIISOPROPYL-1,3-PROPANEDIAMINE

C9H22N2 (158.1782892)


   

2-(4-ethylpiperazin-1-yl)ethanol

2-(4-ethylpiperazin-1-yl)ethanol

C8H18N2O (158.1419058)


   
   

2,2-Dimethyl-1-octanol

2,2-Dimethyl-1-octanol

C10H22O (158.1670562)


   

2-(2,6-DIMETHYLMORPHOLINO)ETHANAMINE

2-(2,6-DIMETHYLMORPHOLINO)ETHANAMINE

C8H18N2O (158.1419058)


   

2,2-dimethylheptanoic acid

2,2-dimethylheptanoic acid

C9H18O2 (158.1306728)


   

2,2,6,6-tetramethyloxan-4-ol

2,2,6,6-tetramethyloxan-4-ol

C9H18O2 (158.1306728)


   

Methanediamine,N,N,N,N-tetraethyl-

Methanediamine,N,N,N,N-tetraethyl-

C9H22N2 (158.1782892)


   

1-(TRIMETHYLSILYL)PIPERAZINE

1-(TRIMETHYLSILYL)PIPERAZINE

C7H18N2Si (158.1239188)


   

2-methyl-1-(piperazin-1-yl)propan-2-ol

2-methyl-1-(piperazin-1-yl)propan-2-ol

C8H18N2O (158.1419058)


   

2-[2-(diethylamino)ethyl]guanidine

2-[2-(diethylamino)ethyl]guanidine

C7H18N4 (158.1531388)


   

4-4-(3-PYRIDYL)IMIDAZOL-1-YLBUTYLAMINE

4-4-(3-PYRIDYL)IMIDAZOL-1-YLBUTYLAMINE

C8H18N2O (158.1419058)


   

N,N,N,N-TETRAMETHYL-2,2-DIMETHYL-1,3-PROPANEDIAMINE

N,N,N,N-TETRAMETHYL-2,2-DIMETHYL-1,3-PROPANEDIAMINE

C9H22N2 (158.1782892)


   

tetrahydromyrcenol

tetrahydromyrcenol

C10H22O (158.1670562)


   

tert-Butyl pivalate

tert-Butyl pivalate

C9H18O2 (158.1306728)


   

1,3-Propanediamine,N1,N1-dipropyl-

1,3-Propanediamine,N1,N1-dipropyl-

C9H22N2 (158.1782892)


   

Octylboronic acid

Octylboronic acid

C8H19BO2 (158.1478024)


   

1-PROPYL-1H-BENZOIMIDAZOL-5-YLAMINE

1-PROPYL-1H-BENZOIMIDAZOL-5-YLAMINE

C8H18N2O (158.1419058)


   

Methyl[bis(2-methyl-2-propanyl)]silane

Methyl[bis(2-methyl-2-propanyl)]silane

C9H22Si (158.14906919999999)


   

N,N,N,N,1-Pentamethyl-1-vinylsilanediamine

N,N,N,N,1-Pentamethyl-1-vinylsilanediamine

C7H18N2Si (158.1239188)


   
   

1,3-BIS(IMINO-HYDRAZINO-METHYL)PROPANE

1,3-BIS(IMINO-HYDRAZINO-METHYL)PROPANE

C5H14N6 (158.1279884)


   

(R)-(-)-2-DECANOL

(R)-(-)-2-DECANOL

C10H22O (158.1670562)


   

(S)-(+)-2-AMINOHEPTANE

(S)-(+)-2-AMINOHEPTANE

C10H22O (158.1670562)


   

(R)-2-AMINO-5-DIETHYLAMINOPENTANE,

(R)-2-AMINO-5-DIETHYLAMINOPENTANE,

C9H22N2 (158.1782892)


   

(S)-2-AMINO-5-DIETHYLAMINOPENTANE,

(S)-2-AMINO-5-DIETHYLAMINOPENTANE,

C9H22N2 (158.1782892)


   

2-(4-(Aminomethyl)piperidin-1-yl)ethanol

2-(4-(Aminomethyl)piperidin-1-yl)ethanol

C8H18N2O (158.1419058)


   

N-Nitrosodiisobutylamine

N-Nitrosodiisobutylamine

C8H18N2O (158.1419058)


   

1 1-DIETHOXY-3-METHYL-2-BUTENE

1 1-DIETHOXY-3-METHYL-2-BUTENE

C9H18O2 (158.1306728)


   

2,4,6-trimethylheptan-4-ol

2,4,6-trimethylheptan-4-ol

C10H22O (158.1670562)


   

4-Morpholinepropanamine,gamma-methyl-(9CI)

4-Morpholinepropanamine,gamma-methyl-(9CI)

C8H18N2O (158.1419058)


   

4-morpholin-4-ylbutan-1-amine

4-morpholin-4-ylbutan-1-amine

C8H18N2O (158.1419058)


   

Tetrahydrolavandulol

2-Isopropyl-5-methyl-1-hexanol

C10H22O (158.1670562)


   

1-Methyl-4-ethoxy methyl piperazine

1-Methyl-4-ethoxy methyl piperazine

C8H18N2O (158.1419058)


   

(4-methoxy-1-methylpiperidin-4-yl)methanamine

(4-methoxy-1-methylpiperidin-4-yl)methanamine

C8H18N2O (158.1419058)


   

4,6-Dimethylheptanoic acid

4,6-Dimethylheptanoic acid

C9H18O2 (158.1306728)


   

2,5-Dimethylheptanoic acid

2,5-Dimethylheptanoic acid

C9H18O2 (158.1306728)


   

4-(Aminomethyl)-N,N-dimethyltetrahydro-2H-pyran-4-amine

4-(Aminomethyl)-N,N-dimethyltetrahydro-2H-pyran-4-amine

C8H18N2O (158.1419058)


   
   

8-Methyl-1-nonanol

8-Methyl-1-nonanol

C10H22O (158.1670562)


   

2,3-DIMETHYL-3-OCTANOL

2,3-DIMETHYL-3-OCTANOL

C10H22O (158.1670562)


   

2,7-DIMETHYL-4-OCTANOL

2,7-DIMETHYL-4-OCTANOL

C10H22O (158.1670562)


   

2-Hexyl-1,3-dioxolane

1,3-Dioxolane, 2-hexyl-

C9H18O2 (158.1306728)


   

nonan-1,9-diamin

nonan-1,9-diamin

C9H22N2 (158.1782892)


   

2-[methyl(piperidin-4-yl)amino]ethanol(SALTDATA: 2HCl)

2-[methyl(piperidin-4-yl)amino]ethanol(SALTDATA: 2HCl)

C8H18N2O (158.1419058)


   

1,1-Dimethyl-2-morpholin-4-yl-ethylamine

1,1-Dimethyl-2-morpholin-4-yl-ethylamine

C8H18N2O (158.1419058)


   

1-Piperazinebutanol(6CI,7CI,8CI,9CI)

1-Piperazinebutanol(6CI,7CI,8CI,9CI)

C8H18N2O (158.1419058)


   
   

3,4-DIETHYL-3-HEXANOL

3,4-DIETHYL-3-HEXANOL

C10H22O (158.1670562)


   

5-methyl-5-nonanol

5-methyl-5-nonanol

C10H22O (158.1670562)


   

Piperazine,1-(2-hydrazino ethyl)-4-methyl HCl

Piperazine,1-(2-hydrazino ethyl)-4-methyl HCl

C7H18N4 (158.1531388)


   

2-ETHYL-3-METHYL-BUTANOIC ACID ETHYL ESTER

2-ETHYL-3-METHYL-BUTANOIC ACID ETHYL ESTER

C9H18O2 (158.1306728)


   

2-methylnonan-1-ol

2-methylnonan-1-ol

C10H22O (158.1670562)


   

Petroleum ether

Petroleum ether

C11H26 (158.2034396)


   

4-methyl-3-hexanol acetate

4-methyl-3-hexanol acetate

C9H18O2 (158.1306728)


   

Tris(tribromoneopenthyl)phosphate

Tris(tribromoneopenthyl)phosphate

C9H22Si (158.14906919999999)


   

2-Methyl-N1-pentyl-1,2-propanediamine

2-Methyl-N1-pentyl-1,2-propanediamine

C9H22N2 (158.1782892)


   

4,4-dimethylheptanoic acid

4,4-dimethylheptanoic acid

C9H18O2 (158.1306728)


   

3,5,5-Trimethylhexanoic acid

3,5,5-Trimethylhexanoic acid

C9H18O2 (158.1306728)


   

4-ETHYL-3-OCTANOL

4-ETHYL-3-OCTANOL

C10H22O (158.1670562)


   

2-Nonanol, 2-methyl-

2-Nonanol, 2-methyl-

C10H22O (158.1670562)


   

N,N-DIETHYL-N,N-DIMETHYL-1,3-PROPANDIAMINE

N,N-DIETHYL-N,N-DIMETHYL-1,3-PROPANDIAMINE

C9H22N2 (158.1782892)


   

TERT-AMYL TERT-BUTYL NITROXIDE

TERT-AMYL TERT-BUTYL NITROXIDE

C9H20NO (158.154481)


   

2,2-dipropan-2-yl-1,3-dioxolane

2,2-dipropan-2-yl-1,3-dioxolane

C9H18O2 (158.1306728)


   

4-Piperidinamine,1-(2-methoxyethyl)-(9CI)

4-Piperidinamine,1-(2-methoxyethyl)-(9CI)

C8H18N2O (158.1419058)


   

[1-(2-Aminoethyl)-4-piperidinyl]methanol

[1-(2-Aminoethyl)-4-piperidinyl]methanol

C8H18N2O (158.1419058)


   

N-methyl-3-morpholin-4-ylpropan-1-amine

N-methyl-3-morpholin-4-ylpropan-1-amine

C8H18N2O (158.1419058)


   

1-(2-Methoxyethyl)homopiperazine

1-(2-Methoxyethyl)homopiperazine

C8H18N2O (158.1419058)


   

[4-(Methoxymethyl)cyclohexyl]methanol

[4-(Methoxymethyl)cyclohexyl]methanol

C9H18O2 (158.1306728)


   

3-ethylheptanoic acid

3-ethylheptanoic acid

C9H18O2 (158.1306728)


   

5,5-dimethylheptanoic acid

5,5-dimethylheptanoic acid

C9H18O2 (158.1306728)


   

3-ethyloctan-3-ol

3-ethyloctan-3-ol

C10H22O (158.1670562)


   

4-ETHYL-2-OCTANOL

4-ETHYL-2-OCTANOL

C10H22O (158.1670562)


   

(R)-(+)-Hexyl glycidyl ether

(R)-(+)-Hexyl glycidyl ether

C9H18O2 (158.1306728)


   

4-[2-(Dimethylamino)ethyl]morpholine

4-[2-(Dimethylamino)ethyl]morpholine

C8H18N2O (158.1419058)


   

o-methyl-n,n-diisopropylisourea

o-methyl-n,n-diisopropylisourea

C8H18N2O (158.1419058)


   

3-methylhexyl acetate

3-methylhexyl acetate

C9H18O2 (158.1306728)


   

(3,5,5-TRIMETHYL-HEXYL)-HYDRAZINE

(3,5,5-TRIMETHYL-HEXYL)-HYDRAZINE

C9H22N2 (158.1782892)


   

Isopentyl ether

Diisopentyl ether

C10H22O (158.1670562)


   

tert-butyl 2-methylbutanoate

tert-butyl 2-methylbutanoate

C9H18O2 (158.1306728)


   

3,5-DIMETHYL-4-OCTANOL

3,5-DIMETHYL-4-OCTANOL

C10H22O (158.1670562)


   

8-Methylnonanol

8-Methylnonanol

C10H22O (158.1670562)


   

3,4,5-trimethyl-4-heptanol

3,4,5-trimethyl-4-heptanol

C10H22O (158.1670562)


   

1-(3-Aminopropyl)piperidin-4-ol

1-(3-Aminopropyl)piperidin-4-ol

C8H18N2O (158.1419058)


   

3-(4-Methylpiperazin-1-yl)propan-1-ol

3-(4-Methylpiperazin-1-yl)propan-1-ol

C8H18N2O (158.1419058)


   

diethyl(2-ethylmethylaminoethyl)amine

diethyl(2-ethylmethylaminoethyl)amine

C9H22N2 (158.1782892)


   

3-ETHYL-2-METHYL-2-HEPTANOL

3-ETHYL-2-METHYL-2-HEPTANOL

C10H22O (158.1670562)


   

N-(3-GUANIDINOPROPYL)GUANIDINE

N-(3-GUANIDINOPROPYL)GUANIDINE

C5H14N6 (158.1279884)


   

N1,N1-Diethyl-1,4-pentanediamine

N1,N1-Diethyl-1,4-pentanediamine

C9H22N2 (158.1782892)


   

ethyl 4,4-dimethylpentanoate

ethyl 4,4-dimethylpentanoate

C9H18O2 (158.1306728)


   

Propanoic acid, 2,2-dimethyl-, butyl ester

Propanoic acid, 2,2-dimethyl-, butyl ester

C9H18O2 (158.1306728)


   
   

2-Methyl-2-morpholin-4-yl-propylamine

2-Methyl-2-morpholin-4-yl-propylamine

C8H18N2O (158.1419058)


   

4-(2-aMinoethyl)-1-Methylpiperidin-4-ol

4-(2-aMinoethyl)-1-Methylpiperidin-4-ol

C8H18N2O (158.1419058)


   

[1-(2-aminoethyl)piperidin-3-yl]methanol

[1-(2-aminoethyl)piperidin-3-yl]methanol

C8H18N2O (158.1419058)


   

1-MORPHOLIN-4-YLMETHYL-PROPYLAMINE

1-MORPHOLIN-4-YLMETHYL-PROPYLAMINE

C8H18N2O (158.1419058)


   

1-(2-ethoxyethyl)piperazine

1-(2-ethoxyethyl)piperazine

C8H18N2O (158.1419058)


   

1-(3-Methyoxypropyl)piperazine

1-(3-Methyoxypropyl)piperazine

C8H18N2O (158.1419058)


   
   

3-METHYL-4-NONANOL

3-METHYL-4-NONANOL

C10H22O (158.1670562)


   

4-Nonanol, 4-methyl-

4-Nonanol, 4-methyl-

C10H22O (158.1670562)


   

3-Methyl-3-nonanol

3-Methyl-3-nonanol

C10H22O (158.1670562)


   

4-Heptanol, 4-propyl-

4-Heptanol, 4-propyl-

C10H22O (158.1670562)


   

(S)-(-)-ALPHA-(BOC-AMINO)-GAMMA-BUTYROLACTONE

(S)-(-)-ALPHA-(BOC-AMINO)-GAMMA-BUTYROLACTONE

C8H18N2O (158.1419058)


   

Isobutyl Valerate

Isobutyl Valerate

C9H18O2 (158.1306728)


   

N-(2-HYDROXYETHYL)PIPERAZINE-N-(2-ETHANESULFONICACID)HEMISODIUMSALT

N-(2-HYDROXYETHYL)PIPERAZINE-N-(2-ETHANESULFONICACID)HEMISODIUMSALT

C8H18N2O (158.1419058)


   

Pentanoic acid,2-methyl-, propyl ester

Pentanoic acid,2-methyl-, propyl ester

C9H18O2 (158.1306728)


   

3-Octanol,2,2-dimethyl-

3-Octanol,2,2-dimethyl-

C10H22O (158.1670562)


   

1-AMINO-3-(PIPERIDIN-1-YL)PROPAN-2-OL

1-AMINO-3-(PIPERIDIN-1-YL)PROPAN-2-OL

C8H18N2O (158.1419058)


   

trimethylhexamethylenediamine

trimethylhexamethylenediamine

C9H22N2 (158.1782892)


   

N-ETHYL-2-MORPHOLINOETHANAMINE

N-ETHYL-2-MORPHOLINOETHANAMINE

C8H18N2O (158.1419058)


   

4-Ethylheptanoic acid

4-Ethylheptanoic acid

C9H18O2 (158.1306728)


   

N-Acetyl-1,6-diaminohexane

N-Acetyl-1,6-diaminohexane

C8H18N2O (158.1419058)


   

Guanidine, (6-aminohexyl)-

Guanidine, (6-aminohexyl)-

C7H18N4 (158.1531388)


   
   

3-Methyloctanoic acid

3-Methyloctanoic acid

C9H18O2 (158.1306728)


   

5-Methyloctanoic acid

5-Methyloctanoic acid

C9H18O2 (158.1306728)


   

Neononanoic acid

Neononanoic acid

C9H18O2 (158.1306728)


   

2,6-Dimethylheptanoic acid

2,6-Dimethylheptanoic acid

C9H18O2 (158.1306728)


A methyl-branched chain fatty acid that is heptanoic acid substituted by a methyl group at positions 2 and 6.

   

Methyl 2-propylpentanoate

Methyl 2-propylpentanoate

C9H18O2 (158.1306728)


   

Hydrazine, tripropyl-

Hydrazine, tripropyl-

C9H22N2 (158.1782892)


   

1,1-Diethyl-2-pentylhydrazine

1,1-Diethyl-2-pentylhydrazine

C9H22N2 (158.1782892)


   

AI3-33586

Butanoic acid, 3-methyl-, 2-methylpropyl ester

C9H18O2 (158.1306728)


   

Acid C-9

InChI=1\C9H18O2\c1-2-3-4-5-6-7-8-9(10)11\h2-8H2,1H3,(H,10,11

C9H18O2 (158.1306728)


D000890 - Anti-Infective Agents > D000935 - Antifungal Agents Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2[1]. Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2[1].

   

Antak

InChI=1\C10H22O\c1-2-3-4-5-6-7-8-9-10-11\h11H,2-10H2,1H

C10H22O (158.1670562)


   

Wine oil

4-02-00-00960 (Beilstein Handbook Reference)

C9H18O2 (158.1306728)


   

AI3-33584

3-02-00-00698 (Beilstein Handbook Reference)

C9H18O2 (158.1306728)


   

WLN: 7OV1

4-02-00-00162 (Beilstein Handbook Reference)

C9H18O2 (158.1306728)


   

LS-2364

InChI=1\C9H18O2\c1-4-5-9(10)11-7-6-8(2)3\h8H,4-7H2,1-3H

C9H18O2 (158.1306728)


   

Isobutyl-2-methylbutyrate

2-Methylpropyl 2-methylbutanoate

C9H18O2 (158.1306728)


Isobutyl-2-methylbutyrate is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Thus, isobutyl-2-methylbutyrate is considered to be a fatty ester lipid molecule. Isobutyl-2-methylbutyrate is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isobutyl-2-methylbutyrate can be found in roman camomile and spearmint, which makes isobutyl-2-methylbutyrate a potential biomarker for the consumption of these food products.

   

4-Hydroxynonanal

4-Hydroxynonanal

C9H18O2 (158.1306728)


An hydroxy fatty aldehyde that is nonanal in which one of the hydrogens at position 4 has been replaced by a hydroxy group.

   

(E)-2-Nonene-1,4-diol

(E)-2-Nonene-1,4-diol

C9H18O2 (158.1306728)


   

4-Hydroxynonenol

4-Hydroxynonenol

C9H18O2 (158.1306728)


   

1,1-Dimethyl-2-carboxylatopiperidinium

1,1-Dimethyl-2-carboxylatopiperidinium

C8H16NO2+ (158.1180976)


   

(2S)-1,1-Dimethylpiperidin-1-ium-2-carboxylic acid

(2S)-1,1-Dimethylpiperidin-1-ium-2-carboxylic acid

C8H16NO2+ (158.1180976)


   

rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(1-methylethyl)-1,3-dioxolane

rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(1-methylethyl)-1,3-dioxolane

C9H18O2 (158.1306728)


A natural product found in Triatoma brasiliensis and Triatoma infestans.

   

trans-(2R/S)-2,4-diethyl-2,5-dimethyl-1,3-dioxolane

trans-(2R/S)-2,4-diethyl-2,5-dimethyl-1,3-dioxolane

C9H18O2 (158.1306728)


A natural product found in Triatoma brasiliensis and Triatoma infestans.

   

rel-(2R/S,4R,5R)-4-ethyl-5-methyl-2-(1-methylethyl)-1,3-dioxolane

rel-(2R/S,4R,5R)-4-ethyl-5-methyl-2-(1-methylethyl)-1,3-dioxolane

C9H18O2 (158.1306728)


A natural product found in Triatoma brasiliensis and Triatoma infestans.

   

2-Aminooctanoate

2-Aminooctanoate

C8H16NO2- (158.1180976)


An alpha-amino-acid anion that is the conjugate base of 2-aminooctanoic acid, arising from deprotonation of the carboxy group.

   

Propionic acid hexan-3-yl ester

Propionic acid hexan-3-yl ester

C9H18O2 (158.1306728)


   

N-Nitrosodibutylamine

N-Nitrosodibutylamine

C8H18N2O (158.1419058)


D009676 - Noxae > D002273 - Carcinogens

   

Decan-2-ol

Decan-2-ol

C10H22O (158.1670562)


A secondary alcohol that is decane substituted by a hydroxy group at position 2.

   

ISONONANOIC ACID

ISONONANOIC ACID

C9H18O2 (158.1306728)


   

3,7-Dimethyl-3-octanol

3,7-Dimethyl-3-octanol

C10H22O (158.1670562)


A fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7. Metabolite observed in cancer metabolism.

   

UNII:DPY9K1927C

3,7-Dimethyloctan-1-ol

C10H22O (158.1670562)


   

ETHYL HEPTANOATE

ETHYL HEPTANOATE

C9H18O2 (158.1306728)


The fatty acid ethyl ester of heptanoic acid.

   

Hexyl propanoate

Hexyl propanoate

C9H18O2 (158.1306728)


A propanoate ester of hexan-1-ol.

   

ISOBUTYL ISOVALERATE

ISOBUTYL ISOVALERATE

C9H18O2 (158.1306728)


   

propyl hexanoate

propyl hexanoate

C9H18O2 (158.1306728)


A hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with propan-1-ol.

   

Isopropyl hexanoate

N-caproic acid isopropyl ester

C9H18O2 (158.1306728)


   

Isopentyl isobutyrate

Isopentyl isobutyrate

C9H18O2 (158.1306728)


   

4-Methylcaprylic acid

4-Methylcaprylic acid

C9H18O2 (158.1306728)


4-Methyloctanoic acid is a natural compound mainly responsible for the characteristic goaty sheepy flavour of sheep and goat milk[1].

   

heptan-3-yl acetate

heptan-3-yl acetate

C9H18O2 (158.1306728)


   

Isobutyl 2-methylbutyrate

isobutyl 2-methyl butyrate

C9H18O2 (158.1306728)


   

2-pentyl butyrate

2-pentyl butyrate

C9H18O2 (158.1306728)


   

1-hydroxynonan-3-one

1-hydroxynonan-3-one

C9H18O2 (158.1306728)


   

3-(hydroxymethyl)octan-2-one

3-(hydroxymethyl)octan-2-one

C9H18O2 (158.1306728)


   

Ethyl 5-methylhexanoate

Ethyl 5-methylhexanoate

C9H18O2 (158.1306728)


   

octan-3-yl formate

octan-3-yl formate

C9H18O2 (158.1306728)


   

decan-5-ol

decan-5-ol

C10H22O (158.1670562)


A secondary alcohol that is decane substituted by a hydroxy group at position 5.

   

(4S,5S)-4-Methylnonan-5-ol

(4S,5S)-4-Methylnonan-5-ol

C10H22O (158.1670562)


   

Decan-3-ol

Decan-3-ol

C10H22O (158.1670562)


A secondary alcohol that is decane substituted by a hydroxy group at position 3.

   

Decan-4-ol

Decan-4-ol

C10H22O (158.1670562)


A secondary alcohol that is decane substituted by a hydroxy group at position 4.

   

Decan-1-ol

Decan-1-ol

C10H22O (158.1670562)


A fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of ten carbon atoms.

   

7-methyloctanoic acid

7-methyloctanoic acid

C9H18O2 (158.1306728)


A branched-chain saturated fatty acid consisting of octanoic acid carrying a 7-methyl group.

   

Methyloctanoic acid

Methyloctanoic acid

C9H18O2 (158.1306728)


   

NA-Putrescine 4:0

NA-Putrescine 4:0

C8H18N2O (158.1419058)


   

Methylpropyl methylbutanoate

Methylpropyl methylbutanoate

C9H18O2 (158.1306728)


   

2-methylnonan-5-ol

2-methylnonan-5-ol

C10H22O (158.1670562)


   

1-Octanol,2,7-dimethyl-

NA

C10H22O (158.1670562)


{"Ingredient_id": "HBIN002880","Ingredient_name": "1-Octanol,2,7-dimethyl-","Alias": "NA","Ingredient_formula": "C10H22O","Ingredient_Smile": "CC(C)CCCCC(C)CO","Ingredient_weight": "158.28 g/mol","OB_score": "24.42699255","CAS_id": "NA","SymMap_id": "SMIT04456","TCMID_id": "NA","TCMSP_id": "MOL002159","TCM_ID_id": "NA","PubChem_id": "27154","DrugBank_id": "NA"}

   

2,4-dimethyl-4-octanol

NA

C10H22O (158.1670562)


{"Ingredient_id": "HBIN004351","Ingredient_name": "2,4-dimethyl-4-octanol","Alias": "NA","Ingredient_formula": "C10H22O","Ingredient_Smile": "CCCCC(C)(CC(C)C)O","Ingredient_weight": "158.28 g/mol","OB_score": "23.26162231","CAS_id": "NA","SymMap_id": "SMIT10938","TCMID_id": "NA","TCMSP_id": "MOL009856","TCM_ID_id": "NA","PubChem_id": "568123","DrugBank_id": "NA"}

   

butyl (2r)-2-methylbutanoate

butyl (2r)-2-methylbutanoate

C9H18O2 (158.1306728)


   

2-isopropyl-5-methylhexan-1-ol

2-isopropyl-5-methylhexan-1-ol

C10H22O (158.1670562)


   

(2r)-decan-2-ol

(2r)-decan-2-ol

C10H22O (158.1670562)


   

(4s)-decan-4-ol

(4s)-decan-4-ol

C10H22O (158.1670562)


   

9-hydroxynonan-2-one

9-hydroxynonan-2-one

C9H18O2 (158.1306728)