Methyl hexanoate
Properties
- Molecular formula
- C7H14O2
- Molar mass
- 130.19 g/mol
- Exact mass
- 130.0994 Da
- Density
- 0.8858 g/mL (at 20 °C)
- Melting point
- −71 °C
- Boiling point
- 149.5 °C
- Flash point
- 72.8 °C
- Water solubility
- < 1 g/L (22.2 °C)
- logP
- 1.74Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H226 Flammable liquid and vapor99.9% of notifiers
Aggregated from 1,891 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
106-70-7SMILES
CCCCCC(=O)OCInChIKey
NUKZAGXMHTUAFE-UHFFFAOYSA-NInChI
InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Hexanoic acid, methyl ester
- Methyl caproate
- Methyl hexoate
- Methyl n-hexanoate
- Methyl capronate
- NSC 5023
- Pastell M 6
- Caproic acid methyl ester
- Agnique 610G
Work with Methyl hexanoate
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 heptanoate106-73-096 % similar
Methyl decanoate110-42-996 % similar
Methyl octanoate111-11-596 % similar
Methyl laurate111-82-096 % similar
Methyl palmitate112-39-096 % similar
Methyl stearate112-61-896 % similar
Methyl eicosanoate1120-28-196 % similar
Methyl myristate124-10-796 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.