2-Ethylhexanoic acid
Properties
- Molecular formula
- C8H16O2
- Molar mass
- 144.21 g/mol
- Exact mass
- 144.1150 Da
- Density
- 0.9031 g/mL (at 25 °C)
- Melting point
- −59 °C
- Boiling point
- 228 °C
- Flash point
- 114 °C (closed cup)
- Water solubility
- 1.4 g/L
- logP
- 2.29Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 5
Hazards
Danger
- H360D May damage the unborn child10.4% of notifiers
- H361 Suspected of damaging fertility or the unborn child86.3% of notifiers
Aggregated from 1,895 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P280, P318, P405, P501
Identifiers
CAS number
149-57-5SMILES
CCCCC(CC)C(=O)OInChIKey
OBETXYAYXDNJHR-UHFFFAOYSA-NInChI
InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
14 names · show all
- Hexanoic acid, 2-ethyl-
- Caproic acid, α-ethyl-
- Butylethylacetic acid
- α-Ethylcaproic acid
- 2-Ethylhexoic acid
- 3-Heptanecarboxylic acid
- 2-Ethylcaproic acid
- Ethylhexanoic acid
- α-Ethylhexanoic acid
- 2-Butylbutanoic acid
- 2-Ethyl-1-hexanoic acid
- (±)-2-Ethylhexanoic acid
- NSC 8881
- Octylic acid
Work with 2-Ethylhexanoic 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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Tin(II) 2-ethylhexanoate301-10-0Salt
Cobalt octoate136-52-7Salt
Potassium 2-ethylhexanoate3164-85-0Salt
Zinc 2-ethylhexanoate136-53-8Salt
Chromium(III) 2-ethylhexanoate3444-17-5Salt
Bis(2-ethylhexanoato-kappaO)hydroxyaluminum30745-55-2Salt
Bismuth tris(2-ethylhexanoate)67874-71-9Salt
Calcium 2-ethylhexanoate136-51-6Salt
Manganese bis(2-ethylhexanoate)13434-24-7Salt
Copper(II) 2-ethylhexanoate149-11-1Salt
Sodium 2-ethylhexanoate19766-89-3Salt
Lead bis(2-ethylhexanoate)301-08-6Salt
Similar compounds
Rhodium(III) 2-ethylhexanoate20845-92-589 % similar
Zirconium 2-ethylhexanoate22464-99-989 % similar
2-Hexyldecanoic acid25354-97-669 % similar
2-Ethylbutanoic acid88-09-565 % similar
Buciclic acid38289-28-065 % similar
Butylmalonic acid534-59-862 % similar
Valproic acid99-66-161 % similar
2-Methylhexanoic acid4536-23-658 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.