chempirical

Methyl propionate

C4H8O2CAS 554-12-188.11 g/mol

Open in Covalent MOL file
OO
Ester

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
logP
0.57Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
554-12-1
SMILES
CCC(=O)OC
InChIKey
RJUFJBKOKNCXHH-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3

Weigh 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 Dimethyl adipate627-93-055 % similar Ethyl propionate105-37-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Hydroxybutanal107-89-1 Butyric acid107-92-6 2-Butene-1,4-diol110-64-5 Propyl formate110-74-7 1,4-Dioxane123-91-1 Ethyl acetate141-78-6 1,4-Dioxane-D817647-74-4 2-Methylene-1,3-propanediol3513-81-3

Elsewhere

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