chempirical

Cinnamaldehyde

C9H8OCAS 104-55-2132.16 g/mol

Open in Covalent MOL file
O
AldehydeAlkene

Properties

Molecular formula
C9H8O
Molar mass
132.16 g/mol
Exact mass
132.0575 Da
Density
1.048–1.052 g/mL (at 25 °C)
Melting point
−7.5 °C
Boiling point
246 °C
logP
1.90Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
104-55-2
SMILES
O=CC=Cc1ccccc1
InChIKey
KJPRLNWUNMBNBZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

22 names · show all
  • 2-Propenal, 3-phenyl-
  • 3-Phenyl-2-propenal
  • Cassia aldehyde
  • Cinnamal
  • Cinnamic aldehyde
  • Phenylacrolein
  • 3-Phenylpropenal
  • 3-Phenyl-2-propene-1-al
  • Cinnamyl aldehyde
  • 3-Phenylacrolein
  • Benzylideneacetaldehyde
  • 3-Phenyl-2-propenaldehyde
  • Zimtaldehyde
  • 3-Phenyl-2-propen-1-al
  • 3-Phenylacrylaldehyde
  • Abion CA
  • β-Phenylacrolein
  • Cinnamite
  • NSC 16935
  • NSC 40346
  • Cinnacure
  • XC 800

Work with Cinnamaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cinnamaldehyde14371-10-9Defined stereoisomer

Similar compounds

1,6-Diphenyl-1,3,5-hexatriene1720-32-765 % similar Trans,trans-1,4-diphenyl-1,3-butadiene538-81-865 % similar 1,4-Diphenyl-1,3-butadiene886-65-765 % similar 3-(4-Fluorophenyl)-2-propenal24654-55-558 % similar 4-Chlorocinnamaldehyde49678-02-658 % similar 3-Chlorocinnamaldehyde56578-37-157 % similar (E)-Stilbene103-30-055 % similar (Z)-Stilbene645-49-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Carboxaldehydebenzocyclobutene112892-88-3 (2-Propyn-1-yloxy)benzene13610-02-1 3-Phenyl-2-propyn-1-ol1504-58-1 4-Vinylbenzaldehyde1791-26-0 3-Methylbenzofuran21535-97-7 α-Ethynylbenzenemethanol4187-87-5 Atropaldehyde4432-63-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook