Styrene oxide

C8H8OCAS 96-09-3120.15 g/mol

Open in Covalent MOL file
O
EpoxideEther

Properties

Molecular formula
C8H8O
Molar mass
120.15 g/mol
Exact mass
120.0575 Da
Density
1.0523 g/mL (at 16 °C)
Melting point
−35.6 °C
Boiling point
194.1 °C
Flash point
76 °C (closed cup)
Water solubility
3 g/L
logP
1.76Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 603-084-00-2), via PubChem.

Precautionary statements

P203, P264+P265, P280, P302+P352, P305+P351+P338, P317, P318, P321, P337+P317, P362+P364, P405, P501

Identifiers

CAS number
96-09-3
SMILES
c1ccc(C2CO2)cc1
InChIKey
AWMVMTVKBNGEAK-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

23 names · show all
  • 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
  • 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

Reactions

Work with Styrene oxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-Styrene oxide20780-53-4Defined stereoisomer (S)-Styrene oxide20780-54-5Defined stereoisomer

Similar compounds

(R)-(4-Fluorophenyl)oxirane134356-73-356 % similar 2-(4-Fluorophenyl)oxirane18511-62-156 % similar 4-Chlorostyrene oxide2788-86-556 % similar (R)-(+)-3-Chlorostyrene oxide62600-71-956 % similar 4-Phenyl-1,3-dioxane772-00-950 % similar cis-2-Phenyl-1,3-dioxan-5-ol4141-19-946 % similar (2S)-2-(3,4-Difluorophenyl)oxirane1006376-63-145 % similar (R)-(-)-2-Methoxy-2-phenylethanol17628-72-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methylbenzaldehyde104-87-0 Phenylacetaldehyde122-78-1 4-Vinylphenol2628-17-3 Phthalane496-14-0 Dihydrobenzofuran496-16-2 2-Methylbenzaldehyde529-20-4

Elsewhere

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