4-Methyl-2-pentyl acetate
Properties
- Molecular formula
- C8H16O2
- Molar mass
- 144.21 g/mol
- Exact mass
- 144.1150 Da
- Density
- 0.8805 g/mL (at 25 °C)
- Melting point
- −64 °C
- Boiling point
- 147.5 °C
- logP
- 1.98Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Identifiers
CAS number
108-84-9SMILES
CC(=O)OC(C)CC(C)CInChIKey
CPIVYSAVIPTCCX-UHFFFAOYSA-NInChI
InChI=1S/C8H16O2/c1-6(2)5-7(3)10-8(4)9/h6-7H,5H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- 2-Pentanol, 4-methyl-, 2-acetate
- 2-Pentanol, 4-methyl-, acetate
- MAAc
- Methylisobutylcarbinol acetate
- 1,3-Dimethylbutyl acetate
- 4-Methylpent-2-yl ethanoate
- Acetic acid 1,3-dimethylbutyl ester
- 4-Methyl-2-pentanol acetate
- NSC 567
Work with 4-Methyl-2-pentyl 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
sec-Butyl acetate105-46-461 % similar
Propylene glycol diacetate623-84-759 % similar
Propylene glycol methyl ether acetate108-65-657 % similar
1,3-Butylene glycol diacetate1117-31-355 % similar
1-Phenyl-2-propanol acetate2114-33-249 % similar
Isobutyl acetate110-19-048 % similar
Isopropyl acetate108-21-448 % similar
2,3-Diacetoxybutane1114-92-748 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds