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Cinnamaldehyde
CAS: 14371-10-9 | C9H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14371-10-9
Molecular Formula:
C9H8O
Molecular Mass:
132.16 g/mol
Names and Synonyms:
Cinnamaldehyde
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
(E)-3-Phenylpropenal
Identifiers:
SMILES:
O=C/C=C/c1ccccc1
InChI:
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
Key Properties
Boiling Point
120-121 °C @ Press: 12 Torr
CAS Common Chemistry
Melting Point
-7.5 °C
CAS Common Chemistry
Density
1.04 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.16 g/mol | CAS Common Chemistry |
| 132.16199999999998 g/mol | RDKit | |
| 132.057514876 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.0436 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cinnamaldehyde | CAS Common Chemistry |
| Boiling Point | 120-121 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | O=CC=CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+ | CAS Common Chemistry |
| InChI Key | InChIKey=KJPRLNWUNMBNBZ-QPJJXVBHSA-N | CAS Common Chemistry |
| Melting Point | -7.5 °C | CAS Common Chemistry |
| Name | trans-Cinnamaldehyde | CAS Common Chemistry |
| Cinnamaldehyde | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 1.8987 | RDKit |
| Molar Refractivity | 41.54000000000002 | RDKit |
