Common NameBenzaldehyde
DescriptionBenzaldehyde is occasionally found as a volatile component of urine. Benzaldehyde is an aromatic aldehyde used in cosmetics as a denaturant, a flavoring agent, and as a fragrance. Currently used in only seven cosmetic products, its highest reported concentration of use was 0.5% in perfumes. Benzaldehyde is a generally regarded as safe (GRAS) food additive in the United States and is accepted as a flavoring substance in the European Union. Because Benzaldehyde rapidly metabolizes to Benzoic Acid in the skin, the available dermal irritation and sensitization data demonstrating no adverse reactions to Benzoic Acid were considered supportive of the safety of Benzaldehyde. Benzaldehyde is absorbed through 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. Overall, at the concentrations used in cosmetics, Benzaldehyde was not considered a carcinogenic risk to humans. Although there are limited irritation and sensitization data available for Benzaldehyde, the available dermal irritation and sensitization data and ultraviolet (UV) absorption and phototoxicity data demonstrating no adverse reactions to Benzoic Acid support the safety of Benzaldehyde as currently used in cosmetic products. (PMID:16835129 , Int J Toxicol. 2006;25 Suppl 1:11-27.).
Structure
Molecular FormulaC7H6O
Average Mass106.12190
Monoisotopic Mass106.04186
IUPAC Namebenzaldehyde
Traditional NameBenzaldehyde
CAS Registry Number100-52-7
SMILESO=Cc1ccccc1
InChI IdentifierInChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChI KeyHUMNYLRZRPPJDN-UHFFFAOYSA-N
CHEBI IDCHEBI:17169
HMDB IDHMDB0006115
StateNot Available
Water Solubility5.44e+00 g/l
logP1.60
logS-1.29
pKa (Strongest Acidic)Not Available
pKa (Strongest Basic)-7.11
Hydrogen Acceptor Count1
Hydrogen Donor Count0
Polar Surface Area17.07 Ų
Rotatable Bond Count1
Physiological Charge0
Formal Charge0
Refractivity32.64 m³·mol⁻¹
Polarizability11.02

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