Isobutyric anhydride
Properties
- Molecular formula
- C8H14O3
- Molar mass
- 158.20 g/mol
- Exact mass
- 158.0943 Da
- Density
- 0.9535 g/mL (at 20 °C)
- Melting point
- −53.5 °C
- Boiling point
- 181.5 °C (at 734 Torr)
- Flash point
- 59.4 °C
- logP
- 1.37Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed17.3% of notifiers
- H302 Harmful if swallowed18.9% of notifiers
- H311 Toxic in contact with skin47.1% of notifiers
- H312 Harmful in contact with skin18.9% of notifiers
- H314 Causes severe skin burns and eye damage69.4% of notifiers
- H318 Causes serious eye damage60.6% of notifiers
- H331 Toxic if inhaled29.8% of notifiers
Aggregated from 376 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
97-72-3SMILES
CC(C)C(=O)OC(=O)C(C)CInChIKey
LSACYLWPPQLVSM-UHFFFAOYSA-NInChI
InChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Propanoic acid, 2-methyl-, 1,1′-anhydride
- Propanoic acid, 2-methyl-, anhydride
- Isobutyric acid anhydride
- Isobutyryl anhydride
- 2-Methylpropanoic anhydride
- Isobutanoic anhydride
- 2-Methylpropionic anhydride
- 2-Methylpropanoic acid anhydride
- 2-Methylpropionic acid anhydride
- 2-Methylpropanoyl-2-methylpropanoate
Work with Isobutyric anhydride
Similar compounds
Methyl isobutyrate547-63-760 % similar
Isopropyl isobutyrate617-50-557 % similar
Ethyl isobutyrate97-62-152 % similar
Tetrahydrocyclobuta[1,2-c:3,4-c′]difuran-1,3,4,6-tetrone4415-87-650 % similar
Chloromethyl 2-methylpropanoate61644-18-650 % similar
Lactic anhydride97-73-450 % similar
Isobutyl isobutyrate97-85-850 % similar
Propyl isobutyrate644-49-548 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.