tert-Butyl acetate
Properties
- Molecular formula
- C6H12O2
- Molar mass
- 116.16 g/mol
- Exact mass
- 116.0837 Da
- Density
- 0.8593 g/mL (at 25 °C)
- Melting point
- below 25 °C
- Boiling point
- 97.8 °C
- logP
- 1.35Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Identifiers
CAS number
540-88-5SMILES
CC(=O)OC(C)(C)CInChIKey
WMOVHXAZOJBABW-UHFFFAOYSA-NInChI
InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Acetic acid, 1,1-dimethylethyl ester
- Acetic acid tert-butyl ester
- 2-Acetoxy-2-methylpropane
- tert-Butyl ethanoate
- TBAc
- NSC 59719
- Acetic acid, tert-butyl ester
- tert-Butyl alcohol, acetate
- Texaco lead appreciator
- 1,1-Dimethylethyl acetate
Reactions
Work with tert-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
tert-Butyl peroxyacetate107-71-157 % similar
Di-tert-butoxydiacetoxysilane13170-23-552 % similar
2-(Acetyloxy)-2-methylpropanoyl bromide40635-67-450 % similar
2-(Acetyloxy)-2-methylpropanoyl chloride40635-66-348 % similar
Acetic anhydride108-24-747 % similar
1,1-Dimethylethyl 2-bromo-2-methylpropanoate23877-12-546 % similar
1,3-Bis(1,1-dimethylethyl) propanedioate541-16-246 % similar
Di-tert-butyl azodicarboxylate870-50-846 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds