FComEx: Heptanoic acid (PC000096)

Record Information

Version

1.0

Creation date

2015-10-09 22:28:14 UTC

Update date

2017-01-19 02:36:12 UTC

FoodComEx ID

PC000096

FoodDB Record

FDB008051

Chemical Information

Name

Heptanoic acid

Description

Present in essential oils, e.g. violet leaf oil, palm oiland is also present in apple, feijoa fruit, strawberry jam, clove bud, ginger, black tea, morello cherry, grapes, rice bran and other foodstuffs. Flavouring ingredient. It is used as one of the components in washing solns. used to assist lye peeling of fruit and vegetables Heptanoic acid, also called enanthic acid, is an organic compound composed of a seven-carbon chain terminating in a carboxylic acid. It is an oily liquid with an unpleasant, rancid odor. It contributes to the odor of some rancid oils. It is slightly soluble in water, but very soluble in ethanol and ether.; Heptanoic acid, also called enanthic acid, is an organic compound composed of a seven-carbon chain terminating in a carboxylic acid. It is an oily liquid with an unpleasant, rancid odor. It contributes to the odor of some rancid oils. It is slightly soluble in water, but well soluble in ethanol and ether.; It is also one of many additives in cigarettes. Heptanoic acid is found in many foods, some of which are soup, sauce, scallop, and leek.

CAS Number

111-14-8

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
1-heptanoic acid	biospider
1-Hexanecarboxylate	biospider
1-Hexanecarboxylic acid	biospider
1-Hexanecarboxylic acid ate	biospider
Bacterio-chlorophylls	biospider
CH3-[CH2]5-COOH	biospider
Enanthate	biospider
Enanthic acid	db_source
Enanthic anhydride	biospider
Enanthylate	biospider
Enanthylic acid	db_source
FEMA 3348	db_source
Heptanoate	biospider
Heptanoic acid (enantic acid)	biospider
Heptansaeure	ChEBI
Hepthlic acid	biospider
Heptoate	biospider
Heptoic acid	db_source
Heptylate	biospider
Heptylic acid	db_source
Hexacid C-7	biospider
Hexane-1-carboxylic acid	db_source
N-heptanoate	biospider
N-heptanoic acid	biospider
N-heptoate	biospider
N-heptoic acid	biospider
N-heptylate	biospider
N-heptylic acid	biospider
Oenanthate	biospider
Oenanthic acid	db_source
Oenanthsaeure	ChEBI
Oenanthylate	biospider
Oenanthylic acid	db_source
SHV	biospider

Chemical Formula

C7H14O2

IUPAC name

heptanoic acid

InChI Identifier

InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)

InChI Key

MNWFXJYAOYHMED-UHFFFAOYSA-N

Isomeric SMILES

CCCCCCC(O)=O

Average Molecular Weight

130.1849

Monoisotopic Molecular Weight

130.099379692

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Medium-chain fatty acids

Alternative Parents