Isopropyl formate
Properties
- Molecular formula
- C4H8O2
- Molar mass
- 88.11 g/mol
- Exact mass
- 88.0524 Da
- Density
- 0.8728 g/mL (at 20 °C)
- Melting point
- −80 °C
- Boiling point
- 68.2 °C
- Flash point
- -5.6 °C (closed cup)
- logP
- 0.57Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
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
- H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
Harmonised EU classification (CLP Annex VI, index 607-016-00-2[2]), 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
625-55-8SMILES
CC(C)OC=OInChIKey
RMOUBSOVHSONPZ-UHFFFAOYSA-NInChI
InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Formic acid, 1-methylethyl ester
- Formic acid, isopropyl ester
- iso-Propyl methanoate
Work with Isopropyl 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
Isopropyl vinyl ether926-65-843 % similar
Cyclohexyl formate4351-54-638 % similar
Isobutyl formate542-55-238 % similar
2-Methoxypropane598-53-837 % similar
Methyl formate107-31-335 % similar
Tetraisopropoxysilane1992-48-935 % similar
Isoamyl formate110-45-235 % similar
Diisopropyl ether108-20-333 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.