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Molecule
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
Identifiers
CAS Registry Number
96-09-3
SMILES
c1ccc(C2CO2)cc1
InChI Key
AWMVMTVKBNGEAK-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
Names and Synonyms
- Styrene Oxide Common Name
- Phenethylene oxide Synonym
- Oxirane, 2-phenyl- Synonym
- Benzene, (epoxyethyl)- Synonym
- Oxirane, phenyl- Synonym
- Ethane, 1,2-epoxy-1-phenyl- Synonym
- 2-Phenyloxirane Synonym
- Epoxystyrene Synonym
- 1,2-Epoxyethylbenzene Synonym
- Phenylethylene oxide Synonym
- Styrene epoxide Synonym
- Styrene oxide Synonym
- Phenyloxirane Synonym
- Styryl oxide Synonym
- α,β-Epoxystyrene Synonym
- 1-Phenyl-1,2-epoxyethane Synonym
- (Epoxyethyl)benzene Synonym
- Styrene 7,8-oxide Synonym
- Styrene 1′,2′-oxide Synonym
- (±)-Styrene oxide Synonym
- (±)-Phenylethylene oxide Synonym
- (±)-Phenyloxirane Synonym
- NSC 637 Synonym
- NSC 7582 Synonym
- STO Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 120.15 g/mol | CAS Common Chemistry |
| 120.15099999999997 g/mol | RDKit | |
| 120.151 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0523 g/cm3 @ 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 |
| 1.7579 | RDKit | |
| Molar Refractivity | 35.135000000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 120.057514876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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 = 120.15 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8O.
