Back to Search
Styrene Oxide
CAS: 96-09-3 | C8H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
96-09-3
Molecular Formula:
C8H8O
Molecular Weight:
120.15099999999997 g/mol
Names and Synonyms:
Styrene Oxide
STO
NSC 7582
NSC 637
(±)-Phenyloxirane
(±)-Phenylethylene oxide
(±)-Styrene oxide
Styrene 1′,2′-oxide
Styrene 7,8-oxide
(Epoxyethyl)benzene
1-Phenyl-1,2-epoxyethane
α,β-Epoxystyrene
Styryl oxide
Phenyloxirane
Styrene oxide
Styrene epoxide
Phenylethylene oxide
Phenethylene oxide
1,2-Epoxyethylbenzene
Epoxystyrene
2-Phenyloxirane
Ethane, 1,2-epoxy-1-phenyl-
Oxirane, phenyl-
Benzene, (epoxyethyl)-
Oxirane, 2-phenyl-
Identifiers:
SMILES:
c1ccc(C2CO2)cc1
InChI:
InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 120.15099999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 120.057514876 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.7578999999999998 | RDKit |
| molecular_mass | 120.15 g/mol | Legacy Database |
| density | 1.05 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Styrene_oxide None | Legacy Database |
| cas-boiling-point | 194.1 °C None | Legacy Database |
| cas-canonical-smile | O1CC1C=2C=CC=CC2 None | Legacy Database |
| cas-density | 1.0523 g/cm3 @ Temp: 16 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=AWMVMTVKBNGEAK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -35.6 °C None | Legacy Database |
| cas-name | Styrene oxide None | Legacy Database |
| wikipedia-name | Styrene oxide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.135000000000005 | RDKit |
