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Molecule
Phenethyl Alcohol
CAS: 60-12-8 · C8H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 60-12-8
- Molecular Formula
- C8H10O
- Molecular Mass
- 122.17 g/mol
Identifiers
CAS Registry Number
60-12-8
SMILES
OCCc1ccccc1
InChI Key
WRMNZCZEMHIOCP-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
Names and Synonyms
- Phenethyl Alcohol Synonym
- Benzeneethanol Synonym
- Phenethyl alcohol Synonym
- Benzyl carbinol Synonym
- Ethanol, 2-phenyl- Synonym
- β-(Hydroxyethyl)benzene Synonym
- PEA Synonym
- β-PEA Synonym
- Phenethanol Synonym
- 2-Phenylethanol Synonym
- Phenylethyl alcohol Synonym
- β-Phenylethyl alcohol Synonym
- β-Phenethyl alcohol Synonym
- β-Phenylethanol Synonym
- 2-Phenylethyl alcohol Synonym
- 2-Phenethyl alcohol Synonym
- Phenylethanol Synonym
- β-Phenethanol Synonym
- 2-Phenethanol Synonym
- 2-Phenyl-1-ethanol Synonym
- (2-Hydroxyethyl)benzene Synonym
- NSC 406252 Synonym
- Phenethylol Synonym
- β-Phenethylol Synonym
- Methyl 3-[(4-Chlorobenzyl)oxy]-4-iodobenzoate Synonym
- Microcare PEA Synonym
- AR 606 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.17 g/mol | CAS Common Chemistry |
| 122.16699999999996 g/mol | RDKit | |
| 122.167 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.0202 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phenethyl_alcohol | CAS Common Chemistry |
| Canonical SMILES | OCCC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WRMNZCZEMHIOCP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -27 °C | CAS Common Chemistry |
| Name | 2-Phenylethanol | CAS Common Chemistry |
| Phenethyl alcohol | CAS Common Chemistry | |
| Heavy Atom Count | 9 | 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 | 1.2214 | RDKit |
| Molar Refractivity | 37.23180000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 122.07316494 g/mol | RDKit |
| Boiling Point | 218.2 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 122.17 g/mol; density = 1.020 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O.
