Compound: 2-ETHYLHEXANOIC ACID
SMILES: O=C(O)C(CCCC)CC
InChIKey: OBETXYAYXDNJHR-UHFFFAOYSA-N
Synonyms: 2-ETHYLHEXANOIC ACID, 149-57-5, 2-Ethylcaproic acid, Hexanoic acid, 2-ethyl-, Ethylhexanoic acid, Ethylhexoic acid, 2-Ethylhexoic acid, Butylethylacetic acid, 2-Butylbutanoic acid, 3-Heptanecarboxylic acid, 2-ethyl-hexoic acid, alpha-Ethylcaproic acid, DTXSID9025293, 2-Ethyl-1-hexanoic acid, 01MU2J7VVZ, alpha-Ethylhexanoic acid, NSC-8881, DTXCID805293, RefChem:909811, (+-)-2-ETHYLHEXANOIC ACID, 205-743-6, Ethyl hexanoic acid, 2-ethyl hexanoic acid, 2-ethyl-hexanoic acid, Ethyl hexanoic acid, 2-, alpha-ethyl caproic acid, MFCD00002675, .alpha.-Ethylcaproic acid, 2-Ethylhexansaeure, 2-Ethylhexanoic acid, >=99%, 2-ethylhexanoicacid, CAS-149-57-5, 2 ETHYL HEXANOIC ACID, CCRIS 3348, HSDB 5649, Kyselina 2-ethylkapronova [Czech], NSC 8881, Kyselina 2-ethylkapronova, EINECS 205-743-6, (+/-)-2-ETHYLHEXANOIC ACID, UNII-01MU2J7VVZ, Kyselina heptan-3-karboxylova [Czech], BRN 1750468, Kyselina heptan-3-karboxylova, AI3-01371, 2-ETHYL HEXOIC ACID,AR, Hexanoic acid, 2-ethyl-, (-)-, 2-Ethylcapronic acid, 2-Ethyl-Hexonic acid, .alpha.-Ethylhexanoic acid, EC 205-743-6, SCHEMBL25800, 2-Ethylhexanoic acid, 99%, MLS002415695, SCHEMBL515105, orb3021384, SCHEMBL4272404, SCHEMBL7622563, CHEMBL1162485, WLN: QVY4 & 2, CHEBI:89058, NSC8881, HMS2267F21, STR05759, XCA37705, 2-ETHYLHEXANOIC ACID [HSDB], Tox21_201406, Tox21_300108, EBC-03119, LMFA01020087, MSK157439, SBB060021, AKOS009031416, AT29893, CS-W016381, MSK157439-100A, SB44987, SB44994, NCGC00091324-01, NCGC00091324-02, NCGC00091324-03, NCGC00253985-01, NCGC00258957-01, 2-Ethylhexanoic acid, analytical standard, BP-14131, SMR001252268, E0120, NS00010660, ST50823933, EN300-20410, Q209384, 2-Ethylhexanoic acid Solution in Acetonitrile, 100ug/mL, F0001-0703, Z104478072, 18FEB650-7573-4EA0-B0CD-9D8BED766547, 2-Ethylhexanoic acid, Pharmaceutical Secondary Standard; Certified Reference Material
Theoretical properties:
molecular_formula: C8H16O2
molecular_weight: 144.21 g/mol
exact_mass: 144.115029749 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 5
heavy_atom_count: 10
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Clear liquid
color: Clear liquid
odor: Mild odor
boiling_point: 442 °F at 760 mmHg (NTP, 1992)
melting_point: -117 °F (NTP, 1992)
density: 0.903 (USCG, 1999) - Less dense than water; will float
solubility: less than 1 mg/mL at 84 °F (NTP, 1992)
flash_point: 260 °F (NTP, 1992)
vapor_pressure: 0.03 [mmHg]
Descriptions:
pubchem: 2-Ethylhexanoic acid is a branched-chain fatty acid.
chembl: 2-ETHYLHEXANOIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 2-Ethylhexanoic acid (2-EHA), commonly known as octoic acid, is the organic compound with the formula CH3(CH2)3CH(C2H5)CO2H.  It is a carboxylic acid that is widely used to prepare lipophilic metal derivatives that are soluble in nonpolar organic solvents.  2-Ethylhexanoic acid is a colorless viscous oil.  It is supplied as a racemic mixture.  Esters and salts of 2-EHA are called 2-ethylhexanoates, e.g. potassium 2-ethylhexanoate.