Back to Search
Cinnamyl Alcohol
CAS: 104-54-1 | C9H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
104-54-1
Molecular Formula:
C9H10O
Molecular Mass:
134.18 g/mol
Names and Synonyms:
Cinnamyl Alcohol
2-Propen-1-ol, 3-phenyl-
Cinnamyl alcohol
3-Phenyl-2-propen-1-ol
Cinnamic alcohol
γ-Phenylallyl alcohol
Styrone
Styryl carbinol
Styryl alcohol
3-Phenylallyl alcohol
3-Phenyl-2-propenol
3-Phenyl-2-propene-1-ol
1-Phenyl-3-hydroxy-1-propene
1-Phenylprop-1-en-3-ol
3-Hydroxy-1-phenylprop-1-ene
NSC 623440
NSC 8775
Identifiers:
SMILES:
OCC=Cc1ccccc1
InChI:
InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2
Key Properties
Boiling Point
250.0 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
33 °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 | 134.18 g/mol | CAS Common Chemistry |
| 134.178 g/mol | RDKit | |
| 134.07316494 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.0397 g/cm3 @ Temp: 35 °C | CAS Common Chemistry | |
| Boiling Point | 250.0 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC=CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OOCCDEMITAIZTP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 33 °C | CAS Common Chemistry |
| Name | Cinnamyl alcohol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.6921 | RDKit |
| Molar Refractivity | 42.56180000000003 | RDKit |
