Pivalic acid
Properties
- Molecular formula
- C5H10O2
- Molar mass
- 102.13 g/mol
- Exact mass
- 102.0681 Da
- Density
- 0.905 g/mL (at 50 °C)
- Melting point
- 35.5 °C
- Boiling point
- 163.8 °C
- pKa
- 5.03 (25 °C)
- Flash point
- 64 °C (closed cup)
- Water solubility
- 25 g/L (20 °C)
- logP
- 1.12Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin18.8% of notifiers
- H314 Causes severe skin burns and eye damage18.4% of notifiers
- H315 Causes skin irritation81.6% of notifiers
- H319 Causes serious eye irritation81.2% of notifiers
- H332 Harmful if inhaled18.4% of notifiers
Aggregated from 256 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, P501
Identifiers
CAS number
75-98-9SMILES
CC(C)(C)C(=O)OInChIKey
IUGYQRQAERSCNH-UHFFFAOYSA-NInChI
InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- Propanoic acid, 2,2-dimethyl-
- 2,2-Dimethylpropanoic acid
- α,α-Dimethylpropionic acid
- Neopentanoic acid
- Trimethylacetic acid
- 2,2-Dimethylpropionic acid
- tert-Pentanoic acid
- 2,2,2-Trimethylacetic acid
- Versatic 5 acid
- Trimethylmethanecarboxylic acid
- NSC 65449
- Neovaleric acid
- Versatic acid 5
Reactions
Work with Pivalic acid
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Dimethylmalonic acid595-46-058 % similar
2-Hydroxyisobutyric acid594-61-652 % similar
Bromoisobutyric acid2052-01-950 % similar
2,2-Difluoropropanoic acid373-96-650 % similar
2-Aminoisobutyric acid62-57-750 % similar
2-Fluoroisobutyric acid63812-15-750 % similar
1-Methylcyclopropanecarboxylic acid6914-76-750 % similar
2,2-Dichloropropionic acid75-99-050 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.