Isovaleric anhydride
Properties
- Molecular formula
- C10H18O3
- Molar mass
- 186.25 g/mol
- Exact mass
- 186.1256 Da
- Boiling point
- 215 °C
- logP
- 2.15Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 4
Hazards
Danger
- H311 Toxic in contact with skin86.4% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P262, P264, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P361+P364, P363, P405, P501
Identifiers
CAS number
1468-39-9SMILES
CC(C)CC(=O)OC(=O)CC(C)CInChIKey
FREZLSIGWNCSOQ-UHFFFAOYSA-NInChI
InChI=1S/C10H18O3/c1-7(2)5-9(11)13-10(12)6-8(3)4/h7-8H,5-6H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Butanoic acid, 3-methyl-, 1,1′-anhydride
- Butanoic acid, 3-methyl-, anhydride
- Isovaleric acid anhydride
- Isovaleryl anhydride
- 3-Methylbutanoic anhydride
- Isopentanoic anhydride
- 3-Methylbutyric anhydride
- 3-Methylbutanoyl 3-methylbutanoate
Work with Isovaleric 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
Dihydro-4-(2-methylpropyl)-2H-pyran-2,6(3H)-dione185815-59-274 % similar
Methyl isovalerate556-24-165 % similar
Dihydro-4-methyl-2H-pyran-2,6(3H)-dione4166-53-464 % similar
Isobutyl isovalerate589-59-363 % similar
Ethyl isovalerate108-64-560 % similar
Isoamyl isovalerate659-70-158 % similar
Cyclohexyl isovalerate7774-44-954 % similar
Butyl isovalerate109-19-352 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds