Propyl formate
Properties
- Molecular formula
- C4H8O2
- Molar mass
- 88.11 g/mol
- Exact mass
- 88.0524 Da
- Density
- 0.9287 g/mL (at 40 °C)
- Melting point
- −92.9 °C
- Boiling point
- 80.9 °C
- Flash point
- -2.8 °C
- logP
- 0.57Crippen 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
- H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
Harmonised EU classification (CLP Annex VI), 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
110-74-7SMILES
CCCOC=OInChIKey
KFNNIILCVOLYIR-UHFFFAOYSA-NInChI
InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Formic acid, propyl ester
- n-Propyl formate
- Propyl methanoate
Work with Propyl 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
Butyl formate592-84-771 % similar
Pentyl formate638-49-368 % similar
Hexyl formate629-33-465 % similar
Glycol diformate629-15-261 % similar
Ethyl formate109-94-452 % similar
cis-3-Hexenyl formate33467-73-150 % similar
Isoamyl formate110-45-248 % similar
Propyl vinyl ether764-47-648 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds