Isobutyl formate
Properties
- Molecular formula
- C5H10O2
- Molar mass
- 102.13 g/mol
- Exact mass
- 102.0681 Da
- Density
- 0.9066 g/mL (at 0 °C)
- Melting point
- −95.8 °C
- Boiling point
- 98.2 °C
- Flash point
- 21.1 °C
- logP
- 0.82Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
Harmonised EU classification (CLP Annex VI, index 607-017-00-8[3]), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
542-55-2SMILES
CC(C)COC=OInChIKey
AVMSWPWPYJVYKY-UHFFFAOYSA-NInChI
InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Formic acid, 2-methylpropyl ester
- Formic acid, isobutyl ester
- Tetryl formate
- 2-Methylpropyl formate
- NSC 6968
- iso-Butyl methanoate
Work with Isobutyl formate
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
Isoamyl formate110-45-258 % similar
Isobutyl vinyl ether109-53-550 % similar
Isobutyl vinyl ether homopolymer9003-44-550 % similar
Propyl formate110-74-746 % similar
Ethyl formate109-94-443 % similar
Glycol diformate629-15-243 % similar
Butyl formate592-84-742 % similar
Vinyl chloride-isobutyl vinyl ether copolymer25154-85-241 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.