Pivalic anhydride
Properties
- Molecular formula
- C10H18O3
- Molar mass
- 186.25 g/mol
- Exact mass
- 186.1256 Da
- Density
- 0.918 g/mL (at 25 °C)
- Boiling point
- 193 °C
- logP
- 2.15Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor27.5% of notifiers
- H302 Harmful if swallowed69.3% of notifiers
- H314 Causes severe skin burns and eye damage30.7% of notifiers
- H315 Causes skin irritation69.3% of notifiers
- H317 May cause an allergic skin reaction69.3% of notifiers
- H319 Causes serious eye irritation69.3% of notifiers
- H335 May cause respiratory irritation69.3% of notifiers
Aggregated from 153 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
1538-75-6SMILES
CC(C)(C)C(=O)OC(=O)C(C)(C)CInChIKey
PGZVFRAEAAXREB-UHFFFAOYSA-NInChI
InChI=1S/C10H18O3/c1-9(2,3)7(11)13-8(12)10(4,5)6/h1-6H3Weigh 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-, 1,1′-anhydride
- Propanoic acid, 2,2-dimethyl-, anhydride
- Trimethylacetic acid anhydride
- 2,2-Dimethylpropanoic anhydride
- Trimethylacetic anhydride
- Pivalic acid anhydride
- Pivaloyl anhydride
- 2,2-Dimethylpropionic anhydride
- 2,2-Dimethylpropanoic acid anhydride
- Neopentanoic anhydride
- 2,2,2-Trimethylacetic anhydride
- 2,2-Dimethylpropanoyl anhydride
- 2,2-Dimethylpropanoyl 2,2-dimethylpropanoate
Work with Pivalic anhydride
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
Methyl pivalate598-98-160 % similar
tert-Butyl trimethylacetate16474-43-457 % similar
Ethyl pivalate3938-95-252 % similar
tert-Butyl peroxypivalate927-07-152 % similar
Chloromethyl pivalate18797-19-850 % similar
Chloromethyl pivalate18997-19-850 % similar
Vinyl pivalate3377-92-250 % similar
Iodomethyl 2,2-dimethylpropanoate53064-79-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds