(+)-Glycidyl butyrate

C₇H₁₂O₃CAS 65031-96-1144.17 g/mol

Open in Covalent MOL file

Epoxide Ester Ether

Properties

Molecular formula: C₇H₁₂O₃
Molar mass: 144.17 g/mol
Exact mass: 144.0786 Da
logP: 0.73Crippen estimate
Polar surface area: 38.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed13.3% of notifiers
H312 Harmful in contact with skin13.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

65031-96-1

SMILES

CCCC(=O)OC[C@@H]1CO1

InChIKey

YLNSNVGRSIOCEU-LURJTMIESA-N

InChI

InChI=1S/C7H12O3/c1-2-3-7(8)10-5-6-4-9-6/h6H,2-5H2,1H3/t6-/m0/s1

Weigh it out

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

Names and synonyms

7 names

Butanoic acid, (2S)-2-oxiranylmethyl ester
Butanoic acid, oxiranylmethyl ester, (S)-
Butanoic acid, (2S)-oxiranylmethyl ester
(S)-Glycidyl butyrate
(S)-Oxiranylmethyl butyrate
(S)-(+)-Glycidyl butyrate
[(2S)-Oxiran-2-yl]methyl butanoate

Work with (+)-Glycidyl butyrate

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.

(2R)-Oxiran-2-ylmethyl butanoate60456-26-0Enantiomer

Similar compounds

Tributyrin60-01-571 % similar Isobutyl butyrate539-90-262 % similar Ethyl butyrate105-54-457 % similar Propyl butyrate105-66-857 % similar Butyl butyrate109-21-753 % similar 1,1′-(2-Butene-1,4-diyl) dibutanoate1572-84-553 % similar Chloromethyl butanoate33657-49-753 % similar Axona538-23-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 3-ethoxy-2-propenoate1001-26-9 Methyl tetrahydropyran-4-carboxylate110238-91-0 4-(2-Hydroxypropoxy)-2-butyn-1-ol1606-79-7 Ethyl tetrahydrofuroate16874-34-3 4-Hydroxycyclohexanecarboxylic acid17419-81-7 Methyl tetrahydropyran-3-carboxylate18729-20-9 Ethyl 3-methyl-2-oxobutanoate20201-24-5 Butyl pyruvate20279-44-1

Elsewhere

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