Butyl formate
Properties
- Molecular formula
- C5H10O2
- Molar mass
- 102.13 g/mol
- Exact mass
- 102.0681 Da
- Density
- 0.9 g/mL
- Melting point
- −90 °C
- Boiling point
- 107 °C
- Flash point
- 18 °C (closed cup)
- Water solubility
- 7.5 g/L (27 °C)
- logP
- 0.96Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
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[1]), 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
592-84-7SMILES
CCCCOC=OInChIKey
NMJJFJNHVMGPGM-UHFFFAOYSA-NInChI
InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Formic acid, butyl ester
- n-Butyl formate
- Butyl methanoate
- NSC 6969
Work with Butyl 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
Pentyl formate638-49-386 % similar
Hexyl formate629-33-482 % similar
Propyl formate110-74-771 % similar
Glycol diformate629-15-255 % similar
Butyl vinyl ether111-34-252 % similar
Ethyl formate109-94-448 % similar
cis-3-Hexenyl formate33467-73-146 % similar
Dibutyl ether142-96-145 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.