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Molecule
Cinnamyl Alcohol
CAS: 104-54-1 · C9H10O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 104-54-1
- Molecular Formula
- C9H10O
- Molecular Mass
- 134.18 g/mol
Identifiers
CAS Registry Number
104-54-1
SMILES
OCC=Cc1ccccc1
InChI Key
OOCCDEMITAIZTP-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2
Names and Synonyms
- Cinnamyl Alcohol Common Name
- 2-Propen-1-ol, 3-phenyl- Synonym
- Cinnamyl alcohol Synonym
- 3-Phenyl-2-propen-1-ol Synonym
- Cinnamic alcohol Synonym
- γ-Phenylallyl alcohol Synonym
- Styrone Synonym
- Styryl carbinol Synonym
- Styryl alcohol Synonym
- 3-Phenylallyl alcohol Synonym
- 3-Phenyl-2-propenol Synonym
- 3-Phenyl-2-propene-1-ol Synonym
- 1-Phenyl-3-hydroxy-1-propene Synonym
- 1-Phenylprop-1-en-3-ol Synonym
- 3-Hydroxy-1-phenylprop-1-ene Synonym
- NSC 623440 Synonym
- NSC 8775 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.18 g/mol | CAS Common Chemistry |
| 134.178 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.0397 g/cm3 @ 35 °C | 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 |
| 1.79 | chempirical lib | |
| Molar Refractivity | 42.56180000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 134.07316494 g/mol | RDKit |
| Boiling Point | 250.0 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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Quick conversion
MW = 134.18 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H10O.
