Methyl pivalate
Properties
- Molecular formula
- C6H12O2
- Molar mass
- 116.16 g/mol
- Exact mass
- 116.0837 Da
- Density
- 0.891 g/mL (at 0 °C)
- Boiling point
- 101.1 °C
- logP
- 1.21Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor98.2% of notifiers
- H302 Harmful if swallowed28.1% of notifiers
Aggregated from 57 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501
Identifiers
CAS number
598-98-1SMILES
COC(=O)C(C)(C)CInChIKey
CNMFHDIDIMZHKY-UHFFFAOYSA-NInChI
InChI=1S/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Propanoic acid, 2,2-dimethyl-, methyl ester
- Pivalic acid, methyl ester
- Methyl trimethylacetate
- Methyl 2,2-dimethylpropanoate
- Methyl 2,2-dimethylpropionate
- 2,2-Dimethyl-propanoic acid methyl ester
Work with Methyl pivalate
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
Pivalic anhydride1538-75-660 % similar
Methyl trichloroacetate598-99-259 % similar
Methyl alpha-hydroxyisobutyrate2110-78-354 % similar
Methyl 2-bromo-2-methylpropanoate23426-63-354 % similar
1,1'-Dimethyl 2,2'-(1,2-diazenediyl)bis(2-methylpropanoate)2589-57-354 % similar
Methyl 2-fluoroisobutyrate338-76-154 % similar
Methyl 1-methylcyclopropane-1-carboxylate6206-25-354 % similar
Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate1459-96-752 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.