2-Ethylbutyl acetate

C₈H₁₆O₂CAS 10031-87-5144.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆O₂
Molar mass: 144.21 g/mol
Exact mass: 144.1150 Da
Density: 0.884 g/mL (at 17 °C)
Melting point: below −100 °C
Boiling point: 162.5 °C
logP: 1.99Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

10031-87-5

SMILES

CCC(CC)COC(C)=O

InChIKey

HQLKZWRSOHTERR-UHFFFAOYSA-N

InChI

InChI=1S/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

2 names

Acetic acid, 2-ethylbutyl ester
1-Butanol, 2-ethyl-, acetate

Work with 2-Ethylbutyl 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-Ethylhexyl acetate103-09-372 % similar 2-Methylbutyl acetate624-41-964 % similar Isobutyl acetate110-19-056 % similar Triacetin102-76-154 % similar Propyl acetate109-60-452 % similar Ethyl acetate141-78-650 % similar 2-Ethylbutyl acrylate3953-10-450 % similar Propylene glycol diacetate623-84-750 % similar

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

Same formula

Cyclohexanedimethanol105-08-8 Isoamyl propionate105-68-0 1,1-Diethoxy-2-butene10602-34-3 Methyl heptanoate106-73-0 4-Methyl-2-pentyl acetate108-84-9 Butyl butyrate109-21-7 2-Methylheptanoic acid1188-02-9 Ethyl hexanoate123-66-0

Elsewhere

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