Isoamyl acetate
Properties
- Molecular formula
- C7H14O2
- Molar mass
- 130.19 g/mol
- Exact mass
- 130.0994 Da
- Density
- 0.876 g/mL (at 15 °C)
- Melting point
- −78.5 °C
- Boiling point
- 142.5 °C
- logP
- 1.60Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Identifiers
CAS number
123-92-2SMILES
CC(=O)OCCC(C)CInChIKey
MLFHJEHSLIIPHL-UHFFFAOYSA-NInChI
InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
23 names · show all
- 1-Butanol, 3-methyl-, 1-acetate
- Isopentyl alcohol, acetate
- 1-Butanol, 3-methyl-, acetate
- Acetic acid, isoamyl ester
- Banana oil
- Isoamyl ethanoate
- Isopentyl acetate
- 3-Methylbutyl acetate
- Pear oil
- Acetic acid 3-methylbutyl ester
- i-Amyl acetate
- 3-Methyl-1-butyl acetate
- Isopentyl ethanoate
- iso-Amyl acetate
- Isoamyl alcohol acetate
- 3-Methyl-1-butanol acetate
- Acetic acid isopentyl ester
- NSC 9260
- iso-Pentyl acetate
- 3-Methylbutyl ethanoate
- Acetic acid 3-methyl-1-butyl ester
- T 615B
- T 815A
Work with Isoamyl 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
1,3-Butylene glycol diacetate1117-31-362 % similar
Isobutyl acetate110-19-062 % similar
Glycol diacetate111-55-761 % similar
3-Methoxybutyl acetate4435-53-460 % similar
1,3-Diacetoxypropane628-66-056 % similar
Butylene glycol diacetate628-67-156 % similar
Isoamyl isobutyrate2050-01-355 % similar
Isoamyl isovalerate659-70-155 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds