Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-05 23:01:00 UTC
Update Date2024-09-29 06:11:24 UTC
Metabolite IDMMDBc0054236
Metabolite Identification
Common Name3-phenylpropanal
Description3-Phenylpropanal, also known as benzenepropanal or benzylacetaldehyde, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. 3-Phenylpropanal is a balsam, chocolate, and cinnamon tasting compound. 3-Phenylpropanal is found, on average, in the highest concentration within ceylon cinnamons. 3-Phenylpropanal has also been detected, but not quantified, in several different foods, such as chinese cinnamons, garden tomato (var.), cherry tomato, herbs and spices, and garden tomato.
Structure
Synonyms
ValueSource
3-Phenyl-1-propanalChEBI
3-Phenylpropan-1-alChEBI
3-PhenylpropionaldehydeChEBI
3-Phenylpropyl aldehydeChEBI
3-PhenylpropylaldehydeChEBI
BenzenepropanalChEBI
BenzylacetaldehydeChEBI
beta-PhenylpropionaldehydeChEBI
DihydrocinnamaldehydeChEBI
HydrocinnamaldehydeChEBI
Hydrocinnamic aldehydeChEBI
HydrocinnamylaldehydeChEBI
b-PhenylpropionaldehydeGenerator
Β-phenylpropionaldehydeGenerator
3-Phenyl-propionaldehydeChEMBL, HMDB
3-Phenyl-propionaidehydeHMDB
Benzenepropanal, 9ciHMDB
beta -PhenylpropionaldehydeHMDB
FEMA 2887HMDB
Phenyl-propanalHMDB
PhenylpropionaldehydeHMDB
3-PhenylpropanalHMDB
3-PhenylpropanaldehydeHMDB
Molecular FormulaC9H10O
Average Mass134.1751
Monoisotopic Mass134.073164942
IUPAC Name3-phenylpropanal
Traditional Namebenzenepropanal
CAS Registry NumberNot Available
SMILES
O=CCCC1=CC=CC=C1
InChI Identifier
InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
InChI KeyYGCZTXZTJXYWCO-UHFFFAOYSA-N