sec-Butyl acetate
Properties
- Molecular formula
- C6H12O2
- Molar mass
- 116.16 g/mol
- Exact mass
- 116.0837 Da
- Density
- 0.8748 g/mL (at 20 °C)
- Melting point
- −98.9 °C
- Boiling point
- 112 °C
- logP
- 1.35Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Identifiers
CAS number
105-46-4SMILES
CCC(C)OC(C)=OInChIKey
DCKVNWZUADLDEH-UHFFFAOYSA-NInChI
InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- Acetic acid, 1-methylpropyl ester
- sec-Butyl alcohol acetate
- Acetic acid, sec-butyl ester
- sec-Butyl alcohol, ester with AcOH
- 2-Butyl acetate
- 1-Methylpropyl acetate
- 2-Acetoxybutane
- (±)-sec-Butyl acetate
- (±)-2-Butyl acetate
- NSC 8034
- sec-Butyl ethanoate
- Ultrasolve M 1200
- Acetic acid sec-butyl ester
Work with sec-Butyl 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
4-Methyl-2-pentyl acetate108-84-961 % similar
Propylene glycol diacetate623-84-761 % similar
Propylene glycol methyl ether acetate108-65-659 % similar
Di-sec-butyl peroxydicarbonate19910-65-757 % similar
1,3-Butylene glycol diacetate1117-31-357 % similar
1-Methylpropyl carbonochloridate17462-58-755 % similar
Isopropyl acetate108-21-450 % similar
2,3-Diacetoxybutane1114-92-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds