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Molecule
1-Phenyl-1,2-Ethanediol
CAS: 93-56-1 · C8H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 93-56-1
- Molecular Formula
- C8H10O2
- Molecular Mass
- 138.17 g/mol
Identifiers
CAS Registry Number
93-56-1
SMILES
OCC(O)c1ccccc1
InChI Key
PWMWNFMRSKOCEY-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2
Names and Synonyms
- 1-Phenyl-1,2-Ethanediol Synonym
- 1,2-Ethanediol, 1-phenyl- Synonym
- 1,2-Ethanediol, phenyl- Synonym
- 1-Phenyl-1,2-ethanediol Synonym
- α,β-Dihydroxyethylbenzene Synonym
- Styrene glycol Synonym
- Styrolyl alcohol Synonym
- Phenylethylene glycol Synonym
- Phenyl glycol Synonym
- 1,2-Dihydroxy-1-phenylethane Synonym
- (1,2-Dihydroxyethyl)benzene Synonym
- 1-Phenylethylene glycol Synonym
- β-Hydroxy-β-phenylethanol Synonym
- 1,2-Dihydroxy-2-phenylethane Synonym
- (RS)-1-Phenyl-1,2-ethanediol Synonym
- (±)-1-Phenyl-1,2-ethanediol Synonym
- (±)-Phenyl-1,2-ethanediol Synonym
- (±)-Styrene glycol Synonym
- NSC 406601 Synonym
- cis-1-Phenyl-1,2-ethanediol Synonym
- (±)-Phenyl glycol Synonym
- 1-Phenyl-1,2-glycol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.17 g/mol | CAS Common Chemistry |
| 138.166 g/mol | RDKit | |
| Density | 1.23 g/cm³ | CAS Common Chemistry |
| 1.225 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Boiling Point | 273 °C | CAS Common Chemistry |
| Canonical SMILES | OCC(O)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PWMWNFMRSKOCEY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 67.5 °C | CAS Common Chemistry |
| Name | 1-Phenyl-1,2-ethanediol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 0.7122999999999999 | RDKit |
| 0.7123 | RDKit | |
| Molar Refractivity | 38.487600000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 138.06807956 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 138.17 g/mol; density = 1.230 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O2.
