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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 Mass:
120.15 g/mol
Names and Synonyms:
Styrene Oxide
Oxirane, 2-phenyl-
Benzene, (epoxyethyl)-
Oxirane, phenyl-
Ethane, 1,2-epoxy-1-phenyl-
2-Phenyloxirane
Epoxystyrene
1,2-Epoxyethylbenzene
Phenethylene oxide
Phenylethylene oxide
Styrene epoxide
Styrene oxide
Phenyloxirane
Styryl oxide
α,β-Epoxystyrene
1-Phenyl-1,2-epoxyethane
(Epoxyethyl)benzene
Styrene 7,8-oxide
Styrene 1′,2′-oxide
(±)-Styrene oxide
(±)-Phenylethylene oxide
(±)-Phenyloxirane
NSC 637
NSC 7582
STO
Identifiers:
SMILES:
c1ccc(C2CO2)cc1
InChI:
InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
Key Properties
Boiling Point
194.1 °C
CAS Common Chemistry
Melting Point
-35.6 °C
CAS Common Chemistry
Density
1.05 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 | 120.15 g/mol | CAS Common Chemistry |
| 120.15099999999997 g/mol | RDKit | |
| 120.057514876 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0523 g/cm3 @ Temp: 16 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Styrene_oxide | CAS Common Chemistry |
| Boiling Point | 194.1 °C | CAS Common Chemistry |
| Canonical SMILES | O1CC1C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AWMVMTVKBNGEAK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -35.6 °C | CAS Common Chemistry |
| Name | Styrene oxide | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 1.7578999999999998 | RDKit |
| Molar Refractivity | 35.135000000000005 | RDKit |
