Ethyl butyrate
Properties
- Molecular formula
- C6H12O2
- Molar mass
- 116.16 g/mol
- Exact mass
- 116.0837 Da
- Density
- 0.879 g/mL (at 20 °C)
- Melting point
- −100.8 °C
- Boiling point
- 120–121 °C
- Flash point
- 23.9 °C (closed cup)
- logP
- 1.35Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vapor99.7% of notifiers
- H319 Causes serious eye irritation13.4% of notifiers
Aggregated from 2,073 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, P501
Identifiers
CAS number
105-54-4SMILES
CCCC(=O)OCCInChIKey
OBNCKNCVKJNDBV-UHFFFAOYSA-NInChI
InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Butanoic acid, ethyl ester
- Butyric acid, ethyl ester
- Butyric acid, ester with EtOH
- Ethyl butanoate
- Ethyl n-butyrate
- Ethyl n-butanoate
- NSC 8857
Work with Ethyl butyrate
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
Diethyl succinate123-25-176 % similar
Ethyl pentanoate539-82-275 % similar
Diethyl glutarate818-38-273 % similar
Ethyl hexanoate123-66-072 % similar
Diethyl adipate141-28-670 % similar
Ethyl heptanoate106-30-969 % similar
Ethyl octanoate106-32-169 % similar
Ethyl dodecanoate106-33-269 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.