Record Information
Version1.0
Creation date2015-10-09 22:32:36 UTC
Update date2017-01-19 02:36:35 UTC
FoodComEx IDPC000772
FoodDB RecordFDB008781
Chemical Information
Name3-Phenyl-2-propenal
DescriptionCinnamaldehyde is the organic compound that gives cinnamon its flavor and odor. This pale yellow viscous liquid occurs naturally in the bark of cinnamon trees and other species of the genus Cinnamomum. The essential oil of cinnamon bark is about 90% cinnamaldehyde. 3-Phenyl-2-propenal is found in many foods, some of which are fig, cloves, anise, and wild celery.
CAS Number104-55-2
Structure
Thumb
Synonyms
SynonymSource
(e)-3-Phenyl-propenalChEBI
(e)-Phenylvinyl aldehydeChEBI
2-Propenal, 3-phenyl-biospider
2-Propenaldehyde, 3-phenyl-biospider
3-FenylpropenalHMDB
3-Phenyl-2-propen-1-albiospider
3-Phenyl-2-propenaldehydebiospider
3-Phenylacroleindb_source
3-Phenylacrylaldehydebiospider
3-Phenylprop-2-enalbiospider
3-Phenylprop-2-enaldehydebiospider
3-Phenylpropenalbiospider
Benzylideneacetaldehydebiospider
beta-Phenylacroleinbiospider
beta-Phenylcroleinbiospider
Cinnamaldb_source
CinnamaldehydeChEBI
Cinnamaldehyde, 8CIdb_source
Cinnamic aldehydedb_source
Cinnamyl aldehydebiospider
CinnamylaldehydeHMDB
CinnemaldehydeHMDB
FEMA 2286db_source
Propenaldehyde, 3-phenyl-biospider
Zimtaldehydebiospider
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4-
InChI KeyKJPRLNWUNMBNBZ-DAXSKMNVSA-N
Isomeric SMILESO=C\C=C/C1=CC=CC=C1
Average Molecular Weight132.1592
Monoisotopic Molecular Weight132.057514878
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassCinnamaldehydes
Sub ClassNot Available
Direct ParentCinnamaldehydes
Alternative Parents
Substituents
  • Cinnamaldehyde
  • Styrene
  • Benzenoid
  • Monocyclic benzene moiety
  • Enal
  • Alpha,beta-unsaturated aldehyde
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aldehyde
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP1.90HANSCH,C ET AL. (1995)
Experimental Water Solubility1.42 mg/mL at 25 oCVALVANI,SC et al. (1981)
Melting Point-7.5 oC
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
Toronto Research Chemicals C442005