chempirical

2-Ethylbutanoic acid

C6H12O2CAS 88-09-5116.16 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C6H12O2
Molar mass
116.16 g/mol
Exact mass
116.0837 Da
Density
0.923 g/mL (at 26 °C)
Melting point
−31.8 °C
Boiling point
194 °C
logP
1.51Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
88-09-5
SMILES
CCC(CC)C(=O)O
InChIKey
OXQGTIUCKGYOAA-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

Weigh it out

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

Names and synonyms

11 names
  • Butanoic acid, 2-ethyl-
  • Butyric acid, 2-ethyl-
  • Butyric acid, α-ethyl-
  • Acetic acid, diethyl-
  • Diethylacetic acid
  • α-Ethylbutyric acid
  • 2-Ethylbutyric acid
  • 3-Pentanecarboxylic acid
  • 2-Ethyl-n-butyric acid
  • NSC 11765
  • NSC 8758

Work with 2-Ethylbutanoic acid

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

2-Ethylhexanoic acid149-57-565 % similar Ethylmalonic acid601-75-264 % similar Rhodium(III) 2-ethylhexanoate20845-92-559 % similar Zirconium 2-ethylhexanoate22464-99-959 % similar 2-Methylbutanoic acid116-53-058 % similar (+)-2-Methylbutanoic acid1730-91-258 % similar (S)-2-Hydroxybutyric acid3347-90-858 % similar 2-Methylbutanoic acid600-07-758 % 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 Ethyl butyrate105-54-4 Propyl propanoate106-36-5 3,3-Dimethylbutanoic acid1070-83-3 Isobutyl acetate110-19-0 Isoamyl formate110-45-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook