Record Information
Version1.0
Creation date2015-10-09 22:32:51 UTC
Update date2017-01-19 02:36:37 UTC
FoodComEx IDPC000811
FoodDB RecordFDB014661
Chemical Information
NameBenzaldehyde
DescriptionBenzaldehyde, 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 “Generally Regarded As Safe” (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 Number100-52-7
Structure
Thumb
Synonyms
SynonymSource
Almond artificial essential oilHMDB
Artificial almond oilChEBI
Artificial bitter almond oilHMDB
Artificial essential oil OF almondHMDB
BenzadehydeHMDB
Benzaldehyde FFCHMDB
Benzanoaldehydebiospider
Benzene carbaldehydebiospider
Benzene carboxaldehydebiospider
Benzene methylalbiospider
Benzenecarbonalbiospider
Benzenecarboxaldehydedb_source
Benzenemethylalbiospider
Benzoate aldehydeGenerator
Benzoic acid aldehydebiospider
Benzoic aldehydeChEBI
Benzoyl hydrideHMDB
BenzyaldehydeHMDB
Benzylaldehydebiospider
Caswell no. 076HMDB
Ethereal oil OF bitter almondsChEBI
FEMA 2127db_source
FEMA no. 2127HMDB
Formylbenzenedb_source
Oil OF bitter almondHMDB
PhenylformaldehydeChEBI
PhenylmethanalChEBI
Phenylmethanal benzenecarboxaldehydeHMDB
Synthetic oil OF bitter almondChEBI
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChI KeyHUMNYLRZRPPJDN-UHFFFAOYSA-N
Isomeric SMILESO=CC1=CC=CC=C1
Average Molecular Weight106.1219
Monoisotopic Molecular Weight106.041864814
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-).
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoyl derivatives
Direct ParentBenzoyl derivatives
Alternative Parents
Substituents
  • Benzoyl
  • Benzaldehyde
  • Aryl-aldehyde
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aldehyde
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP1.48HANSCH,C ET AL. (1995)
Experimental Water Solubility6.95 mg/mL at 25 oCYALKOWSKY,SH & HE,Y (2003)
Melting PointFp -56.9°DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 1 g
Delivery TimeNot Available
Storage Formliquid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
Glentham GK5897
MetaSci HMDB0006115
Sigma-Aldrich HMDB0006115
Toronto Research Chemicals B119740