chempirical

Cinnamaldehyde

C9H8OCAS 14371-10-9132.16 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
1.0436 g/mL (at 20 °C)
Melting point
−7.5 °C
Boiling point
120–121 °C (at 12 Torr)
Flash point
120 °C (closed cup)
logP
1.90Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

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
14371-10-9
SMILES
O=C/C=C/c1ccccc1
InChIKey
KJPRLNWUNMBNBZ-QPJJXVBHSA-N
InChI
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+

Weigh it out

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

Names and synonyms

17 names · show all
  • 2-Propenal, 3-phenyl-, (2E)-
  • Cinnamaldehyde, (E)-
  • 2-Propenal, 3-phenyl-, (E)-
  • (2E)-3-Phenyl-2-propenal
  • trans-Cinnamaldehyde
  • (E)-Cinnamaldehyde
  • trans-Cinnamic aldehyde
  • trans-3-Phenyl-2-propenal
  • trans-Cinnamylaldehyde
  • (E)-3-Phenylprop-2-enal
  • (E)-3-Phenylpropenal
  • E-Cinnamyl aldehyde
  • trans-3-Phenylpropenal
  • trans-Benzenepropenal
  • (E)-3-Phenylacrolein
  • (E)-3-Phenylprop-2-enone
  • (E)-3-Phenylprop-2-en-1-al

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 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.

Cinnamaldehyde104-55-2Stereo not defined

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

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