Back to Search
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
Names and Synonyms:
1-Phenyl-1,2-Ethanediol
1,2-Ethanediol, 1-phenyl-
1,2-Ethanediol, phenyl-
1-Phenyl-1,2-ethanediol
α,β-Dihydroxyethylbenzene
Styrene glycol
Styrolyl alcohol
Phenylethylene glycol
Phenyl glycol
1,2-Dihydroxy-1-phenylethane
(1,2-Dihydroxyethyl)benzene
1-Phenylethylene glycol
β-Hydroxy-β-phenylethanol
1,2-Dihydroxy-2-phenylethane
(RS)-1-Phenyl-1,2-ethanediol
(±)-1-Phenyl-1,2-ethanediol
(±)-Phenyl-1,2-ethanediol
(±)-Styrene glycol
NSC 406601
cis-1-Phenyl-1,2-ethanediol
(±)-Phenyl glycol
1-Phenyl-1,2-glycol
Identifiers:
SMILES:
OCC(O)c1ccccc1
InChI:
InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2
Key Properties
Boiling Point
273 °C
CAS Common Chemistry
Melting Point
67.5 °C
CAS Common Chemistry
Density
1.23 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 | 138.17 g/mol | CAS Common Chemistry |
| 138.166 g/mol | RDKit | |
| 138.06807956 g/mol | RDKit | |
| Density | 1.23 g/cm³ | CAS Common Chemistry |
| 1.225 g/cm3 @ Temp: 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 |
| Molar Refractivity | 38.487600000000015 | RDKit |
