Exact Mass: 102.10445940000001

Exact Mass Matches: 102.10445940000001

Found 62 metabolites which its exact mass value is equals to given mass value 102.10445940000001, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Isohexanol

InChI=1/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H

C6H14O (102.10445940000001)


4-methylpentan-1-ol is a primary alcohol that is pentan-1-ol bearing an additional methyl substituent at position 4. It has a role as a metabolite. It is a primary alcohol and an alkyl alcohol. 4-Methyl-1-pentanol is a natural product found in Vitis vinifera, Zanthoxylum schinifolium, and other organisms with data available. 4-Methyl-1-pentanol is a metabolite found in or produced by Saccharomyces cerevisiae. A primary alcohol that is pentan-1-ol bearing an additional methyl substituent at position 4. 4-Methyl-1-pentanol (Isohexanol) is a volatile aroma compound of red wine from cv. Kalecik Karasι[1]. 4-Methyl-1-pentanol (Isohexanol) is a volatile aroma compound of red wine from cv. Kalecik Karasι[1].

   

1-Hexanol

1-Hexanol, aluminum salt

C6H14O (102.10445940000001)


1-Hexanol is an organic alcohol with a six carbon chain and a condensed structural formula of CH3(CH2)5OH. This colorless liquid is slightly soluble in water, but miscible with ether and ethanol. Two additional straight chain isomers of 1-hexanol exist, 2-hexanol and 3-hexanol, both of which differ by the location of the hydroxyl group. Many isomeric alcohols have the formula C6H13OH. 1-hexanol is believed to be a component of the odour of freshly mowed grass. It is used in the perfume industry and as a flavouring agent. 1-Hexanol is found in many foods, some of which are lemon, tea, yellow bell pepper, and hyssop. 1-Hexanol is a common constituent of essential oils (e.g. orange peel oil). 1-Hexanol is an organic alcohol with a six carbon chain and a condensed structural formula of CH3(CH2)5OH. This colorless liquid is slightly soluble in water, but miscible with ether and ethanol. Two additional straight chain isomers of 1-hexanol exist, 2-hexanol and 3-hexanol, both of which differ by the location of the hydroxyl group. Many isomeric alcohols have the formula C6H13OH. 1-hexanol is believed to be a component of the odour of freshly mown grass. It is used in the perfume industry. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists

   

(±)-3-Methyl-1-pentanol

3-Methyl-(.+/-.)-1-pentanol

C6H14O (102.10445940000001)


(±)-3-Methyl-1-pentanol, also known as 3-ethylbutanol or 3-methyl-(+/-)-1-pentanol, belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). (±)-3-Methyl-1-pentanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, (±)-3-Methyl-1-pentanol is considered to be a fatty alcohol lipid molecule. (±)-3-Methyl-1-pentanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. (±)-3-Methyl-1-pentanol is a cocoa, cognac, and fruity tasting compound. (±)-3-Methyl-1-pentanol has been detected, but not quantified, in cornmints. (±)-3-methyl-1-pentanol, also known as 3-ethylbutanol or 3-methyl-(.+/-.)-1-pentanol, is a member of the class of compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Thus, (±)-3-methyl-1-pentanol is considered to be a fatty alcohol lipid molecule (±)-3-methyl-1-pentanol is soluble (in water) and an extremely weak acidic compound (based on its pKa). (±)-3-methyl-1-pentanol can be found primarily in feces. Within the cell, (±)-3-methyl-1-pentanol is primarily located in the cytoplasm. It can also be found in the extracellular space.

   

3-Hexanol

Ethyl propyl carbinol

C6H14O (102.10445940000001)


3-Hexanol, also known as fema 3351 or 3-hexyl alcohol, belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). 3-Hexanol is an alcoholic, ether, and medicinal tasting compound. 3-Hexanol is found, on average, in the highest concentration within safflowers. 3-Hexanol has also been detected, but not quantified, in several different foods, such as green bell peppers, orange bell peppers, pepper (c. annuum), red bell peppers, and yellow bell peppers. 3-Hexanol occurs naturally in the flavor and aroma of plants such as pineapple and is used as a food additive to add flavor. 3-Hexanol is found in many foods, some of which are pepper (c. annuum), red bell pepper, orange bell pepper, and green bell pepper.

   

2-Hexanol

Hexan-2-ol

C6H14O (102.10445940000001)


2-Hexanol, also known as hexan-2-ol, belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). 2-Hexanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, 2-hexanol is considered to be a fatty alcohol lipid molecule. 2-Hexanol (or hexan-2-ol) is a six carbon alcohol in which the OH group is located on the second carbon atom. Its chemical formula is C6H14O or C6H13OH. 2-Hexanol is a chemical and winey tasting compound. 2-Hexanol is found, on average, in the highest concentration within safflowers. 2-Hexanol has also been detected, but not quantified, in several different foods, such as pepper (c. frutescens), tea, green bell peppers, corns, and orange bell peppers. This could make 2-hexanol a potential biomarker for the consumption of these foods. 2-Hexanol, with regard to humans, has been linked to the inborn metabolic disorder celiac disease. It is an isomer of the other hexanols. 2-Hexanol has a chiral center and can be resolved into enantiomers. 2-hexanol, also known as hexan-2-ol, is a member of the class of compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). Thus, 2-hexanol is considered to be a fatty alcohol lipid molecule. 2-hexanol is soluble (in water) and an extremely weak acidic compound (based on its pKa). 2-hexanol is a chemical and winey tasting compound and can be found in a number of food items such as safflower, green bell pepper, pepper (c. frutescens), and red bell pepper, which makes 2-hexanol a potential biomarker for the consumption of these food products. 2-hexanol can be found primarily in saliva. 2-hexanol exists in all eukaryotes, ranging from yeast to humans. 2-Hexanol (or hexan-2-ol) is a six carbon alcohol in which the OH group is located on the second carbon atom. Its chemical formula is C6H14O or C6H13OH. It is an isomer of the other hexanols. 2-Hexanol has a chiral center and can be resolved into two different enantiomers .

   

3-methyl-2-pentanol

2-Hydroxy-3-methylpentane

C6H14O (102.10445940000001)


3-methylpentan-2-ol, also known as 2-hydroxy-3-methylpentane, is a member of the class of compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). 3-methylpentan-2-ol is soluble (in water) and an extremely weak acidic compound (based on its pKa). 3-methylpentan-2-ol can be found in tea, which makes 3-methylpentan-2-ol a potential biomarker for the consumption of this food product. 3-methyl-2-pentanol, also known as 2-Hydroxy-3-methylpentane, is classified as a member of the Secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). 3-methyl-2-pentanol is considered to be soluble (in water) and basic. 3-methyl-2-pentanol can be found in Tea

   

2-Ethoxybutane

Ether, sec-butyl ethyl

C6H14O (102.10445940000001)


2-Ethoxybutane is a flavouring agent Flavouring agent

   

Isohexanol

2-Methyl-5-pentanol

C6H14O (102.10445940000001)


Isohexanol, also known as 4-methylpentanol or isohexyl alcohol, belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Isohexanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, isohexanol is considered to be a fatty alcohol lipid molecule. These are compounds comprising the primary alcohol functional group, with the general strucuture RCOH (R=alkyl, aryl). 4-Methyl-1-pentanol (Isohexanol) is a volatile aroma compound of red wine from cv. Kalecik Karasι[1]. 4-Methyl-1-pentanol (Isohexanol) is a volatile aroma compound of red wine from cv. Kalecik Karasι[1].

   
   

4-Methyl-2-pentanol

Isobutylmethylcarbinol, chromium salt (3+)

C6H14O (102.10445940000001)


   

Diisopropyl ether

2-(propan-2-yloxy)propane

C6H14O (102.10445940000001)


   
   

Tert-Amyl methyl ether

Tertiary-amyl methyl ether

C6H14O (102.10445940000001)


   

Tert-Butyl ethyl ether

Ethyl tertiary-butyl ether

C6H14O (102.10445940000001)


   

2-Methylpentan-3-ol

2-Methylpentan-3-ol

C6H14O (102.10445940000001)


2-methylpentan-3-ol is a member of the class of compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). 2-methylpentan-3-ol is soluble (in water) and an extremely weak acidic compound (based on its pKa). 2-methylpentan-3-ol can be found in tea, which makes 2-methylpentan-3-ol a potential biomarker for the consumption of this food product.

   

2-Methylpentan-2-ol

2-Pentanol, 2-methyl-

C6H14O (102.10445940000001)


2-methylpentan-2-ol is a member of the class of 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 ). 2-methylpentan-2-ol is soluble (in water) and an extremely weak acidic compound (based on its pKa). 2-methylpentan-2-ol is a pungent tasting compound and can be found in a number of food items such as red bell pepper, pepper (c. annuum), orange bell pepper, and apple, which makes 2-methylpentan-2-ol a potential biomarker for the consumption of these food products.

   

3-Methylpentan-3-ol

3-METHYL-3-PENTANOL

C6H14O (102.10445940000001)


3-methylpentan-3-ol is a member of the class of 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 ). Thus, 3-methylpentan-3-ol is considered to be a fatty alcohol lipid molecule. 3-methylpentan-3-ol is soluble (in water) and an extremely weak acidic compound (based on its pKa). 3-methylpentan-3-ol is a fruity, green, and leafy tasting compound and can be found in a number of food items such as green bell pepper, pepper (c. annuum), orange bell pepper, and red bell pepper, which makes 3-methylpentan-3-ol a potential biomarker for the consumption of these food products.

   
   
   
   
   

Butane, 1-methoxy-3-methyl-

Butane, 1-methoxy-3-methyl-

C6H14O (102.10445940000001)


   
   
   

Hexalin

Hexyl alcohol (natural)

C6H14O (102.10445940000001)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists

   

Sec-C4H9OC2H5

Ether, sec-butyl ethyl

C6H14O (102.10445940000001)


   
   
   

Hexan-2-ol

Hexan-2-ol

C6H14O (102.10445940000001)


A hexanol in which the hydroxy group is at position 2.

   

4-Methyl-1-pentanol

4-Methyl-pentan-1-ol

C6H14O (102.10445940000001)


4-Methyl-1-pentanol (Isohexanol) is a volatile aroma compound of red wine from cv. Kalecik Karasι[1]. 4-Methyl-1-pentanol (Isohexanol) is a volatile aroma compound of red wine from cv. Kalecik Karasι[1].

   

FOH 6:0

3-METHYL-3-PENTANOL

C6H14O (102.10445940000001)


   
   
   

(2,2,6,6-2H4)Cyclohexanone

(2,2,6,6-2H4)Cyclohexanone

C6H6D4O (102.098269712)


   
   

[S,(+)]-2,3-Dimethyl-1-butanol

[S,(+)]-2,3-Dimethyl-1-butanol

C6H14O (102.10445940000001)


   
   
   
   

(R)-(-)-4-METHYL-2-PENTANOL

(R)-(-)-4-METHYL-2-PENTANOL

C6H14O (102.10445940000001)


   
   

2-HEXANOL

2-Methyl-1-pentanol

C6H14O (102.10445940000001)


   

(R)-2-ISOBUTYLSUCCINICACID-1-METHYLESTER

(R)-2-ISOBUTYLSUCCINICACID-1-METHYLESTER

C6H14O (102.10445940000001)


   
   
   
   
   
   
   
   
   

Hexanol

4-01-00-01694 (Beilstein Handbook Reference)

C6H14O (102.10445940000001)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists

   

Isohexanol

InChI=1\C6H14O\c1-6(2)4-3-5-7\h6-7H,3-5H2,1-2H

C6H14O (102.10445940000001)


4-Methyl-1-pentanol (Isohexanol) is a volatile aroma compound of red wine from cv. Kalecik Karasι[1]. 4-Methyl-1-pentanol (Isohexanol) is a volatile aroma compound of red wine from cv. Kalecik Karasι[1].

   

D-3-Methyl pentanol

1-Pentanol, 3-methyl-

C6H14O (102.10445940000001)


(±)-3-methyl-1-pentanol, also known as 3-ethylbutanol or 3-methyl-(.+/-.)-1-pentanol, is a member of the class of compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Thus, (±)-3-methyl-1-pentanol is considered to be a fatty alcohol lipid molecule (±)-3-methyl-1-pentanol is soluble (in water) and an extremely weak acidic compound (based on its pKa). (±)-3-methyl-1-pentanol can be found primarily in feces. Within the cell, (±)-3-methyl-1-pentanol is primarily located in the cytoplasm. It can also be found in the extracellular space (±)-3-methyl-1-pentanol exists in all eukaryotes, ranging from yeast to humans.

   

1-Hexanol

1-Hexanol

C6H14O (102.10445940000001)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists

   
   

3-METHYL-2-PENTANOL

2-Pentanol, 3-methyl-

C6H14O (102.10445940000001)


A secondary alcohol that is 3-methylpentane substituted at position 2 by a hydroxy group.

   

3-Methylpentanol

3-Methylpentanol

C6H14O (102.10445940000001)


A primary alcohol that is pentanol substituted by a methyl group at position 3.

   

Hexan-1-ol

Hexan-1-ol

C6H14O (102.10445940000001)


A primary alcohol that is hexane substituted by a hydroxy group at position 1.

   

hexan-3-ol

hexan-3-ol

C6H14O (102.10445940000001)


A hexanol in which the hydroxy group is at position 3.