FComEx: Octanal (PC000247)

Record Information

Version

1.0

Creation date

2015-10-09 22:29:25 UTC

Update date

2017-01-19 02:36:18 UTC

FoodComEx ID

PC000247

FoodDB Record

FDB003339

Chemical Information

Name

Octanal

Description

Caprylaldehyde also known as Octanal, or aldehyde C8, belongs to the class of organic compounds known as medium-chain aldehydes, which are aldehydes with a chain length between 6 and 12 carbon atoms. Octanal is a fatty aldehyde lipid molecule. It is produced by hydroformylation of heptene and the dehydrogenation of 1-octanol ( doi:10.1002/14356007.a01_321.pub2 ). Caprylaldehyde is very hydrophobic, practically insoluble in water, and relatively neutral. Octanal is colorless or lightly yellow tinged fragrant liquid with a fruit-like (green, orange, rose, coconut) odor and a waxy, citrus or fruity taste. It occurs naturally in citrus (such as blood orange, lime, mandarin, orange) and other oils from bergamot, blood orange, lime, lemon, grapefruit, orange peel and yuzu peel. Caprylaldehyde is found in carrot root, celery shoot and leaf, ceylon cinnamon leaf, rose and witch hazel leaf ( http://www.thegoodscentscompany.com/data/rw1000251.html#tooccur). It is used commercially as a component in perfumes and in flavor production for the food industry. It is also used as a raw material for surfactants, for conditioners, for disinfectants and for plasticizers. It is used as an oil base for lubricants of synthetic resin and for emulsifiers of emulsion polymerization. Octanal is also used as a material for creams and ointments. Additionally, octanal is used as a masking agent, a perfuming agent and a viscosity controlling agent in the food and cosmetic industry.

CAS Number

124-13-0

Structure

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

Synonyms

Synonym	Source
1-Caprylaldehyde	biospider
1-Octaldehyde	biospider
1-Octanal	biospider
1-Octylaldehyde	biospider
Aldehyde C-8	ChEBI
Aldehyde C8	HMDB
Antifoam-lf	HMDB
C-8 Aldehyde	ChEBI
Capryl aldehyde	biospider
Caprylaldehyd	ChEBI
Caprylaldehyde	db_source
Caprylic aldehyde	db_source
FEMA 2797	db_source
Kaprylaldehyd	ChEBI
N-Caprylaldehyde	biospider
N-Caprylic aldehyde	biospider
N-Octaldehyde	biospider
N-Octanal	biospider
N-Octyl aldehyde	biospider
N-Octylal	biospider
Octaldehyde	biospider
Octan-1-al	biospider
Octanaldehyde	biospider
Octanoic aldehyde	biospider
Octyl aldehyde	db_source
Octylaldehyd	ChEBI
Octylaldehyde	biospider
Oktanal	ChEBI
Oktylaldehyd	ChEBI

Chemical Formula

C8H16O

IUPAC name

octanal

InChI Identifier

InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3

InChI Key

NUJGJRNETVAIRJ-UHFFFAOYSA-N

Isomeric SMILES

CCCCCCCC=O

Average Molecular Weight

128.212

Monoisotopic Molecular Weight

128.120115134

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Medium-chain aldehydes

Alternative Parents

Substituents