Record Information
public_id FDB003336
Chemical Information
name Octanoic acid
description Widespread in plant oils, free and as glycerides. Also present in apple, banana, orange juice and peel, pineapple, cognac, calamus, blue cheeses, cheddar cheese, Swiss cheese, feta cheese and other cheeses. Flavouring agent, defoamer, lubricant, binder and antimicrobial preservative in cheese wraps Caprylic acid is the common name for the eight-carbon saturated fatty acid known by the systematic name octanoic acid. It is found naturally in the milk of various mammals, and it is a minor constituent of coconut oil and palm kernel oil. It is an oily liquid that is minimally soluble in water with a slightly unpleasant rancid-like smell. (Wikipedia)
cas_number 124-07-2
Properties
created_at 2010-04-08 22:05:45
updated_at 2011-11-24 16:46:26
moldb_smiles CCCCCCCC(O)=O
moldb_formula C8H16O2
moldb_average_mass 144.2114
moldb_inchi InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
moldb_mono_mass 144.115029756
moldb_inchikey InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-N
moldb_iupac octanoic acid
Structure Thumb
Synonyms
Synonym Source
1-Heptanecarboxylate biospider
1-Heptanecarboxylic acid biospider
1-Octanoic acid biospider
Caprylate biospider
Caprylic acid db_source
Capryloate biospider
Enantic acid biospider
Heptane-1-carboxylic acid db_source
N-Caprylate biospider
N-Caprylic acid biospider
N-Octanoate biospider
N-Octanoic acid biospider
N-Octoate biospider
N-Octoic acid biospider
N-Octylate biospider
Octanoate biospider
Octic acid biospider
Octoic acid db_source
Octylate biospider
Octylic acid biospider
FEMA 2799 db_source
N-Octylic acid db_source