FComEx: Decanoic acid (PC000109)

Record Information

Version

1.0

Creation date

2015-10-09 22:28:28 UTC

Update date

2017-01-19 02:36:13 UTC

FoodComEx ID

PC000109

FoodDB Record

FDB012027

Chemical Information

Name

Decanoic acid

Description

Widespread in plant oils and as glycerides in seed oilsand is also present in apple, apricot, banana, morello cherry, citrus fruits, cheese, butter, white wine, Japanese whiskey, peated malt, wort and scallops. It is used as a defoamer, lubricant and citrus fruit coating. Salts (Na, K, Mg, Ca, Al) used as binders, emulsifiers and anticaking agents in food manuf. Decanoic acid is found in many foods, some of which are radish (variety), meatball, phyllo dough, and american shad.

CAS Number

334-48-5

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Synonym	Source
1-Decanoic acid	biospider
1-Nonanecarboxylate	biospider
1-Nonanecarboxylic acid	biospider
10:0	ChEBI
C10:0	ChEBI
Caprate	biospider
Capric acid	db_source
Caprinate	biospider
Caprinic acid	db_source
Caprynate	biospider
Caprynic acid	biospider
CH3-[CH2]8-COOH	ChEBI
Decanoate	biospider
Decoate	Generator
Decoic acid	ChEBI
Decoic acid (obsol.)	db_source
Decylate	biospider
Decylic acid	db_source
Dekansaeure	ChEBI
Emery 659	HMDB
FEMA 2364	db_source
Kaprinsaeure	ChEBI
Lunac 10-95	HMDB
Lunac 10-98	HMDB
N-Caprate	biospider
N-Capric acid	biospider
N-Decanoate	biospider
N-Decanoic acid	biospider
N-Decoate	biospider
N-Decoic acid	biospider
N-Decylate	biospider
N-Decylic acid	biospider
Nonane-1-carboxylic acid	biospider
Prifac 2906	HMDB
Prifac 296	HMDB

Chemical Formula

C10H20O2

IUPAC name

decanoic acid

InChI Identifier

InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)

InChI Key

GHVNFZFCNZKVNT-UHFFFAOYSA-N

Isomeric SMILES

CCCCCCCCCC(O)=O

Average Molecular Weight

172.2646

Monoisotopic Molecular Weight

172.146329884

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

Substituents

Medium-chain fatty acid
Straight chain fatty acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

medium-chain fatty acid (CHEBI:30813 )
straight-chain saturated fatty acid (CHEBI:30813 )
Straight chain fatty acids (C01571 )
Saturated fatty acids (C01571 )
Straight chain fatty acids (LMFA01010010 )

Physico-Chemical Properties - Experimental

Property	Value	Reference
Experimental logP	4.09	HANSCH,C ET AL. (1995)
Experimental Water Solubility	0.0618 mg/mL at 25 oC	YALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting Point	Mp 31.5°	DFC

Foods of Origin