benzaldehyde (CHEBI:17169)

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ChEBI Name	benzaldehyde

ChEBI ID	CHEBI:17169

Definition	An arenecarbaldehyde that consists of benzene bearing a single formyl substituent; the simplest aromatic aldehyde and parent of the class of benzaldehydes.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:3019, CHEBI:13875, CHEBI:22697

Supplier Information	ChemicalBook:CB7852954, eMolecules:478134, ZINC000000895323

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Wikipedia	License
Phenylacetaldehyde is an organic compound used in the synthesis of fragrances and polymers. Phenylacetaldehyde is an aldehyde that consists of acetaldehyde bearing a phenyl substituent; the parent member of the phenylacetaldehyde class of compounds. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is an alpha-CH2-containing aldehyde and a member of phenylacetaldehydes. Phenylacetaldehyde is one important oxidation-related aldehyde. Exposure to styrene gives phenylacetaldehyde as a secondary metabolite. Styrene has been implicated as reproductive toxicant, neurotoxicant, or carcinogen in vivo or in vitro. Phenylacetaldehyde could be formed by diverse thermal reactions during the cooking process together with C8 compounds is identified as a major aroma–active compound in cooked pine mushroom. Phenylacetaldehyde is readily oxidized to phenylacetic acid. Therefore will eventually be hydrolyzed and oxidized to yield phenylacetic acid that will be excreted primarily in the urine in conjugated form.
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Formula

C7H6O

Net Charge

Average Mass

106.12190

Monoisotopic Mass

106.04186

InChI

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

InChIKey

HUMNYLRZRPPJDN-UHFFFAOYSA-N

SMILES

O=Cc1ccccc1

Roles Classification
Biological Role(s):	EC 3.5.5.1 (nitrilase) inhibitor An EC 3.5.5.* (hydrolase acting on C-N bonds in nitriles) inhibitor that interferes with the action of nitrilase (EC 3.5.5.1). EC 3.1.1.3 (triacylglycerol lipase) inhibitor Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of triacylglycerol lipase (EC 3.1.1.3). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. flavouring agent A food additive that is used to added improve the taste or odour of a food. odorant receptor agonist An agonist that selectively binds to and activates an odorant receptor.

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food. fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.

ChEBI Ontology
Outgoing	benzaldehyde (CHEBI:17169) has role EC 3.1.1.3 (triacylglycerol lipase) inhibitor (CHEBI:65001) benzaldehyde (CHEBI:17169) has role EC 3.5.5.1 (nitrilase) inhibitor (CHEBI:77118) benzaldehyde (CHEBI:17169) has role flavouring agent (CHEBI:35617) benzaldehyde (CHEBI:17169) has role fragrance (CHEBI:48318) benzaldehyde (CHEBI:17169) has role odorant receptor agonist (CHEBI:62873) benzaldehyde (CHEBI:17169) has role plant metabolite (CHEBI:76924) benzaldehyde (CHEBI:17169) is a benzaldehydes (CHEBI:22698)

IUPAC Name

benzaldehyde

Synonyms	Sources
Artificial almond oil	ChemIDplus
Benzaldehyde	KEGG COMPOUND
benzaldehyde	UniProt
Benzanoaldehyde	HMDB
Benzene carbaldehyde	ChemIDplus
Benzene carboxaldehyde	ChemIDplus
Benzenecarbonal	ChemIDplus
Benzenecarboxaldehyde	ChemIDplus
Benzenemethylal	ChemIDplus
Benzoic acid aldehyde	HMDB
Benzoic aldehyde	KEGG COMPOUND
Benzoic aldehyde	ChemIDplus
Benzylaldehyde	NIST Chemistry WebBook
Ethereal oil of bitter almonds	HMDB
Phenylformaldehyde	HMDB
Phenylmethanal	ChemIDplus
Synthetic oil of bitter almond	ChemIDplus

Last Modified

05 August 2016

General Comment
2014-01-27	For inhibition of triacylglycerol lipase by benzaldehyde, see Xiong, J., Wu, J., Xu, G. and Yang, L., Chem. Eng. J., 2008, v138, pp 258-263.