chempirical

Butyl propionate

C7H14O2CAS 590-01-2130.19 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C7H14O2
Molar mass
130.19 g/mol
Exact mass
130.0994 Da
Density
0.9 g/mL
Melting point
−90 °C
Boiling point
146 °C
logP
1.74Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
590-01-2
SMILES
CCCCOC(=O)CC
InChIKey
BTMVHUNTONAYDX-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • Propanoic acid, butyl ester
  • Propionic acid, butyl ester
  • n-Butyl propionate
  • Butyl propanoate
  • n-Butyl propanoate
  • NSC 8449

Work with Butyl 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

Pentyl propanoate624-54-488 % similar Hexyl propanoate2445-76-384 % similar Propyl propanoate106-36-575 % similar Dibutyl succinate141-03-772 % similar Dibutyl adipate105-99-769 % similar Butyl valerate591-68-469 % similar Dibutyl sebacate109-43-367 % similar Dibutyl azelate2917-73-967 % similar

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

Same formula

Propyl butyrate105-66-8 Methyl hexanoate106-70-7 4-Methoxy-4-methyl-2-pentanone107-70-0 Ethyl isovalerate108-64-5 Enanthic acid111-14-8 2,2-Dimethylpentanoic acid1185-39-3 Isoamyl acetate123-92-2 tert-Butyl propionate20487-40-5

Elsewhere

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