Methyl propionate
Properties
- Molecular formula
- C4H8O2
- Molar mass
- 88.11 g/mol
- Exact mass
- 88.0524 Da
- Density
- 0.915 g/mL (at 20 °C)
- Melting point
- −87.5 °C
- Boiling point
- 79.8 °C
- Flash point
- -2.2 °C (closed cup)
- Water solubility
- 62.4 g/L
- logP
- 0.57Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H332 Harmful if inhaledAcute toxicity, inhalation
Harmonised EU classification (CLP Annex VI, index 607-027-00-2), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, P501
Identifiers
CAS number
554-12-1SMILES
CCC(=O)OCInChIKey
RJUFJBKOKNCXHH-UHFFFAOYSA-NInChI
InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Propanoic acid, methyl ester
- Propionic acid, methyl ester
- Methyl propanoate
- Methyl propylate
- NSC 9375
Work with Methyl propionate
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 3-oxopentanoate30414-53-063 % similar
Dimethyl succinate106-65-060 % similar
Dimethyl malonate108-59-860 % similar
Propionic anhydride123-62-660 % similar
Dimethyl glutarate1119-40-057 % similar
Methyl butyrate623-42-757 % similar
Dimethyladipate627-93-055 % similar
Ethyl propionate105-37-352 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.