chempirical

Ethyl butyrate

C6H12O2CAS 105-54-4116.16 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C6H12O2
Molar mass
116.16 g/mol
Exact mass
116.0837 Da
Density
0.879 g/mL (at 20 °C)
Melting point
−100.8 °C
Boiling point
120–121 °C
logP
1.35Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
105-54-4
SMILES
CCCC(=O)OCC
InChIKey
OBNCKNCVKJNDBV-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Butanoic acid, ethyl ester
  • Butyric acid, ethyl ester
  • Butyric acid, ester with EtOH
  • Ethyl butanoate
  • Ethyl n-butyrate
  • Ethyl n-butanoate
  • NSC 8857

Work with Ethyl 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

Diethyl succinate123-25-176 % similar Ethyl pentanoate539-82-275 % similar Diethyl glutarate818-38-273 % similar Ethyl hexanoate123-66-072 % similar Diethyl adipate141-28-670 % similar Ethyl heptanoate106-30-969 % similar Ethyl octanoate106-32-169 % similar Ethyl dodecanoate106-33-269 % similar

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

Same formula

2-(Hydroxymethyl)tetrahydropyran100-72-1 3-Methylpentanoic acid105-43-1 sec-Butyl acetate105-46-4 Propyl propanoate106-36-5 3,3-Dimethylbutanoic acid1070-83-3 Isobutyl acetate110-19-0 Isoamyl formate110-45-2 2-Methyl-2-pentanol-4-one123-42-2

Elsewhere

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