Ethyl pivalate
Properties
- Molecular formula
- C7H14O2
- Molar mass
- 130.19 g/mol
- Exact mass
- 130.0994 Da
- Density
- 0.8555 g/mL (at 20 °C)
- Melting point
- −89.5 °C
- Boiling point
- 118.4 °C
- logP
- 1.60Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor97.9% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
3938-95-2SMILES
CCOC(=O)C(C)(C)CInChIKey
HHEIMYAXCOIQCJ-UHFFFAOYSA-NInChI
InChI=1S/C7H14O2/c1-5-9-6(8)7(2,3)4/h5H2,1-4H3Weigh 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-, ethyl ester
- Pivalic acid, ethyl ester
- Ethyl 2,2-dimethylpropionate
- Ethyl 2,2-dimethylpropanoate
- Ethyl trimethylacetate
- NSC 17494
Work with Ethyl 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
Ethyl 1-methylcyclopropanecarboxylate71441-76-462 % similar
Diethyl cyclopropane-1,1-dicarboxylate1559-02-060 % similar
1,3-Diethyl 2-ethyl-2-methylpropanedioate2049-70-959 % similar
2,2-Difluoropropionic acid ethyl ester28781-85-359 % similar
1,3-Diethyl 2-bromo-2-methylpropanedioate29263-94-359 % similar
Ethyl 2-bromoisobutyrate600-00-059 % similar
Ethyl 2-hydroxyisobutyrate80-55-759 % similar
Chloromethyl pivalate18797-19-858 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.