Methyl butyrate
Properties
- Molecular formula
- C5H10O2
- Molar mass
- 102.13 g/mol
- Exact mass
- 102.0681 Da
- Density
- 0.8984 g/mL (at 20 °C)
- Melting point
- −85.8 °C
- Boiling point
- 102.8 °C
- Flash point
- 13.9 °C (closed cup)
- Water solubility
- 10–50 g/L (22.2 °C)
- logP
- 0.96Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H225 Highly Flammable liquid and vapor99.9% of notifiers
Aggregated from 1,693 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
623-42-7SMILES
CCCC(=O)OCInChIKey
UUIQMZJEGPQKFD-UHFFFAOYSA-NInChI
InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Butanoic acid, methyl ester
- Butyric acid, methyl ester
- Butyric acid, ester with MeOH
- Methyl n-butyrate
- Methyl butanoate
- 3-Methylpropanoic acid methyl ester
- NSC 9380
Work with Methyl 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
Methyl pentanoate624-24-874 % similar
Methyl hexanoate106-70-771 % similar
Dimethyl succinate106-65-070 % similar
Methyl heptanoate106-73-068 % similar
Methyl decanoate110-42-968 % similar
Methyl octanoate111-11-568 % similar
Methyl laurate111-82-068 % similar
Methyl palmitate112-39-068 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.