(+)-Benzyl glycidyl ether

C₁₀H₁₂O₂CAS 16495-13-9164.20 g/mol

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Properties

Molecular formula: C₁₀H₁₂O₂
Molar mass: 164.20 g/mol
Exact mass: 164.0837 Da
Boiling point: 120 °C (at 0.2 Torr)
logP: 1.60Crippen estimate
Polar surface area: 21.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation87.2% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16495-13-9

SMILES

c1ccc(COC[C@@H]2CO2)cc1

InChIKey

QNYBOILAKBSWFG-SNVBAGLBSA-N

InChI

InChI=1S/C10H12O2/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h1-5,10H,6-8H2/t10-/m1/s1

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Names and synonyms

16 names · show all

Oxirane, 2-[(phenylmethoxy)methyl]-, (2S)-
Propane, 1-(benzyloxy)-2,3-epoxy-, (S)-
Oxirane, [(phenylmethoxy)methyl]-, (S)-
Oxirane, [(phenylmethoxy)methyl]-, (2S)-
(2S)-2-[(Phenylmethoxy)methyl]oxirane
(+)-2-(Benzyloxymethyl)oxirane
(S)-O-Benzylglycidol
(S)-(Benzyloxymethyl)oxirane
(S)-Benzylglycidol
Benzyl (S)-glycidyl ether
(S)-Glycidyl benzyl ether
(S)-2-(Benzyloxymethyl)oxirane
(2S)-2-[(Benzyloxy)methyl]oxirane
(+)-Glycidyl benzyl ether
(S)-(+)-Benzyl glycidyl ether
(2S)-2-(Phenylmethoxymethyl)oxirane

Work with (+)-Benzyl glycidyl ether

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.

(-)-Benzyl (R)-glycidyl ether14618-80-5Enantiomer Benzyl glycidyl ether2930-05-4Stereo not defined

Similar compounds

(-)-1,4-Di-O-benzyl-L-threitol17401-06-859 % similar 1,3-Bis(phenylmethoxy)-2-propanol6972-79-859 % similar (+)-1,4-Di-O-benzyl-D-threitol91604-41-059 % similar Dibenzyl ether103-50-458 % similar 4-Vinylbenzyl glycidyl ether113538-80-058 % similar (S)-4-Benzyloxymethyl-2,2-dimethyl-1,3-dioxolane16495-03-756 % similar Phenyl glycidyl ether122-60-152 % similar (2R)-2-(Phenoxymethyl)oxirane71031-02-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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