FComEx: Benzaldehyde (PC000811)

Record Information

Version

1.0

Creation date

2015-10-09 22:32:51 UTC

Update date

2017-01-19 02:36:37 UTC

FoodComEx ID

PC000811

FoodDB Record

FDB014661

Chemical Information

Name

Benzaldehyde

Description

Benzaldehyde, also known as benzenecarbonal or benzenemethylal, belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). Benzaldehyde is a colorless liquid with a characteristic almond-like odor. It is a strong, sweet, and almond tasting compound. Benzaldehyde is found, on average, in the highest concentration within a few different foods, such as black walnuts, almonds, and corns and in a lower concentration in safflowers, kohlrabis, and ceylon cinnamons. Benzaldehyde has also been detected, but not quantified in, Mexican oregano, winter savories, strawberries, lingonberries, and common persimmons. Benzaldehyde is an aromatic aldehyde used in cosmetics as a denaturant, a flavoring agent, and as a fragrance. It is currently used in only seven cosmetic products, with the highest reported used concentration of 0.5 %, in perfumes. Benzaldehyde is a ‚ÄúGenerally Regarded As Safe‚Äù (GRAS) food additive in the U.S.A. and is accepted as a flavoring substance in the European Union. Although there is limited data available in regards of potential skin irritation and sensitization caused by benzaldehyde, the available data on the safety of the use of benzoic acid is currently used to support the safe use of benzaldehyde. (PMID: 16835129, Int J Toxicol. 2006;25 Suppl 1:11-27.). This is because benzaldehyde rapidly metabolizes to benzoic acid in the skin, rendering the available dermal irritation and sensitization data on the latter sufficient to support the safety of Benzaldehyde. Benzaldehyde is absorbed through the skin and by the lungs, distributes to all well-perfused organs, but does not accumulate in any specific tissue type. After being metabolized to benzoic acid, conjugates are formed with glycine or glucuronic acid, and excreted in the urine. Several studies have suggested that benzaldehyde can have carcinostatic or antitumor properties (https://doi.org/10.1080/00021369.1978.10863185). Overall, at the concentrations used in cosmetics, benzaldehyde is not considered a carcinogenic risk to humans.

CAS Number

100-52-7

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
Almond artificial essential oil	HMDB
Artificial almond oil	ChEBI
Artificial bitter almond oil	HMDB
Artificial essential oil OF almond	HMDB
Benzadehyde	HMDB
Benzaldehyde FFC	HMDB
Benzanoaldehyde	biospider
Benzene carbaldehyde	biospider
Benzene carboxaldehyde	biospider
Benzene methylal	biospider
Benzenecarbonal	biospider
Benzenecarboxaldehyde	db_source
Benzenemethylal	biospider
Benzoate aldehyde	Generator
Benzoic acid aldehyde	biospider
Benzoic aldehyde	ChEBI
Benzoyl hydride	HMDB
Benzyaldehyde	HMDB
Benzylaldehyde	biospider
Caswell no. 076	HMDB
Ethereal oil OF bitter almonds	ChEBI
FEMA 2127	db_source
FEMA no. 2127	HMDB
Formylbenzene	db_source
Oil OF bitter almond	HMDB
Phenylformaldehyde	ChEBI
Phenylmethanal	ChEBI
Phenylmethanal benzenecarboxaldehyde	HMDB
Synthetic oil OF bitter almond	ChEBI

Chemical Formula

C7H6O

IUPAC name

benzaldehyde

InChI Identifier

InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H

InChI Key

HUMNYLRZRPPJDN-UHFFFAOYSA-N

Isomeric SMILES

O=CC1=CC=CC=C1

Average Molecular Weight

106.1219

Monoisotopic Molecular Weight

106.041864814

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoyl derivatives

Direct Parent

Benzoyl derivatives

Alternative Parents

Substituents