2-Methylbutyl acetate

C₇H₁₄O₂CAS 624-41-9130.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₄O₂
Molar mass: 130.19 g/mol
Exact mass: 130.0994 Da
Density: 0.872 g/mL (at 15 °C)
Boiling point: 140 °C
logP: 1.60Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

624-41-9

SMILES

CCC(C)COC(C)=O

InChIKey

XHIUFYZDQBSEMF-UHFFFAOYSA-N

InChI

InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3

Weigh it out

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

Names and synonyms

4 names

1-Butanol, 2-methyl-, 1-acetate
2-Methylbutanol acetate
1-Butanol, 2-methyl-, acetate
2-Methyl-1-butyl acetate

Work with 2-Methylbutyl acetate

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

Similar compounds

2-Ethylbutyl acetate10031-87-564 % similar Isobutyl acetate110-19-057 % similar 2-Methylbutyl 2-methylbutanoate2445-78-556 % similar 2-Ethylhexyl acetate103-09-353 % similar Propylene glycol diacetate623-84-752 % similar Triacetin102-76-150 % similar sec-Butyl acetate105-46-448 % similar Propyl acetate109-60-448 % similar

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

Same formula

Propyl butyrate105-66-8 Methyl hexanoate106-70-7 4-Methoxy-4-methyl-2-pentanone107-70-0 Ethyl isovalerate108-64-5 Enanthic acid111-14-8 2,2-Dimethylpentanoic acid1185-39-3 Isoamyl acetate123-92-2 tert-Butyl propionate20487-40-5

Elsewhere

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