Record Information
public_id FDB013897
Chemical Information
name Hexanoic acid
description Present in apple, wine grapes, butter, licorice and cheeses, e.g. blue cheeses, Cheddar cheese, Swiss cheese, feta cheese, gruyere de comte cheese, etc. Also present in a few essential oils and fruital aromas. Secondary product of butyric acid fermentation. Flavouring ingredient Hexanoic acid (common name caproic acid), is the carboxylic acid derived from hexane with the general formula C5H11COOH. It is a colorless oily liquid with an odor reminiscent of goats or other barnyard animals. It is a fatty acid found naturally in various animal fats and oils, and is one of the chemicals that gives the decomposing fleshy seed coat of the ginkgo its characteristic unpleasant odor. (Wikipedia)
cas_number 142-62-1
Properties
created_at 2010-04-08 22:10:58
updated_at 2011-11-24 16:42:23
moldb_smiles CCCCCC(O)=O
moldb_formula C6H12O2
moldb_average_mass 116.1583
moldb_inchi InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
moldb_mono_mass 116.083729628
moldb_inchikey InChIKey=FUZZWVXGSFPDMH-UHFFFAOYSA-N
moldb_iupac hexanoic acid
Structure Thumb
Synonyms
Synonym Source
1-Hexanoate biospider
1-Hexanoic acid biospider
1-Pentanecarboxylate biospider
1-Pentanecarboxylic acid biospider
Butylacetate biospider
Butylacetic acid biospider
Caproate biospider
Caproic acid db_source
Capronate biospider
Capronic acid biospider
Hexanoate biospider
Hexoate biospider
Hexoic acid db_source
Hexylate biospider
Hexylic acid db_source
N-Caproate biospider
N-Caproic acid biospider
N-Hexanoate biospider
N-Hexanoic acid biospider
N-Hexoate biospider
N-Hexoic acid biospider
N-Hexylate biospider
N-Hexylic acid biospider
Pentane-1-carboxylic acid db_source
Pentanecarboxylic acid biospider
Pentiformic acid biospider
Pentylformate biospider
Pentylformic acid biospider
FEMA 2559 db_source