(S)-Styrene oxide

C₈H₈OCAS 20780-54-5120.15 g/mol

Open in Covalent MOL file

Epoxide Ether

Properties

Molecular formula: C₈H₈O
Molar mass: 120.15 g/mol
Exact mass: 120.0575 Da
Boiling point: 88–89 °C (at 19 Torr)
logP: 1.76Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H311 Toxic in contact with skin97.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled95.3% of notifiers
H350 May cause cancer100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P316, P318, P321, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

20780-54-5

SMILES

c1ccc([C@H]2CO2)cc1

InChIKey

AWMVMTVKBNGEAK-MRVPVSSYSA-N

InChI

InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m1/s1

Weigh it out

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

Names and synonyms

15 names · show all

Oxirane, 2-phenyl-, (2S)-
Benzene, (epoxyethyl)-, (S)-
Oxirane, phenyl-, (S)-
Oxirane, phenyl-, (2S)-
(2S)-2-Phenyloxirane
(S)-(-)-Phenylepoxyethane
(S)-(-)-Styrene oxide
(S)-Phenyloxirane
(S)-Phenylethylene oxide
(-)-Styrene oxide
(S)-(-)-Phenyloxirane
(S)-Styrene 7,8-oxide
(-)-Phenyloxirane
(S)-Epoxystyrene
(2S)-Phenyloxirane

Work with (S)-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 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 oxide20780-53-4Enantiomer Styrene oxide96-09-3Stereo not defined

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 3-Methylbenzaldehyde620-23-5

Elsewhere

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