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Molecule record

cinnamaldehyde

C9H8O

132.16 g/mol

2D structure for cinnamaldehyde

Molecular properties

Formula
C9H8O
Molar mass
132.16 g·mol−1
Exact mass
132.0575 Da
6
0
1
17.10 Ų
1.9 (PubChem computed XLogP3-AA descriptor)
CAS
104-55-2
PubChem CID
637511

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alkene
Aromatic ring
Phenol

Physical properties

PropertyValueConditionsSource
Logp1.9PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • (E)-3-Phenyl-2-propenal
  • (E)-3-phenylprop-2-enal
  • 104-55-2
  • 2-Propenal, 3-phenyl-
  • 3-Fenylpropenal
  • 3-Phenyl-2-propen-1-al
  • 3-Phenyl-2-propenal
  • 3-Phenyl-2-propenaldehyde
Show all 23 synonyms
  • 3-Phenylacrolein
  • 3-Phenylacrylaldehyde
  • 3-Phenylpropenal
  • Abion CA
  • Acrolein, 3-phenyl-
  • Benzylideneacetaldehyde
  • Cassia aldehyde
  • Cinnamal
  • Cinnamyl aldehyde
  • Cinnamylaldehyde
  • Cinnemaldehyde
  • FEMA No. 2286
  • Phenylacrolein
  • Zimtaldehyde
  • beta-Phenylcrolein

Structure identifiers

Canonical SMILES
C1=CC=C(C=C1)/C=C/C=O
Isomeric SMILES
C1=CC=C(C=C1)/C=C/C=O
InChI
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
InChIKey
KJPRLNWUNMBNBZ-QPJJXVBHSA-N
PubChem CID
637511

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for cinnamaldehyde; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for cinnamaldehyde; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record