Compound: HEXANOIC ACID
SMILES: O=C(O)CCCCC
InChIKey: FUZZWVXGSFPDMH-UHFFFAOYSA-N
Synonyms: HEXANOIC ACID, Caproic acid, 142-62-1, n-Hexanoic acid, n-Caproic acid, Capronic acid, 1-Hexanoic acid, Hexoic acid, Butylacetic acid, Pentylformic acid, n-Hexylic acid, n-Hexoic acid, Pentiformic acid, 1-Pentanecarboxylic acid, Hexylic acid, Pentanecarboxylic acid, Hexacid 698, Kyselina kapronova, FEMA No. 2559, 1F8SN134MX, DTXSID7021607, NSC8266, NSC-8266, DTXCID101607, CHEBI:30776, NSC-35598, Bi(OHex)3, fatty acid 6:0, RefChem:31611, 205-550-7, Acid C6, MFCD00004421, NSC 8266, hexanoic acid (caproic acid), NCIOpen2_005355, C6:0, CHEMBL14184, CH3-[CH2]4-COOH, HEXANOIC ACID  (CAPROIC ACID), Hexanoic acid (natural), Kyselina kapronova [Czech], CAS-142-62-1, CCRIS 1347, HSDB 6813, EINECS 205-550-7, UN2829, BRN 0773837, UNII-1F8SN134MX, AI3-07701, hexans&#xe4;ure, 6NA, ethyl 4-butanoic acid, Hexanoic acid, 99%, methyl 5-pentanoic acid, Acid C6; Caproic acid, Pentane-1-carboxylic acid, Hexanoic acid, >=99%, n-C5H11COOH, Hexanoic acid Caproic acid, bmse000351, EC 205-550-7, SCHEMBL3867, WLN: QV5, CH3(CH2)4COOH, CAPROIC ACID [HSDB], HEXANOIC ACID [FCC], SCHEMBL21474, SCHEMBL21475, SCHEMBL50974, HEXANOIC ACID [FHFI], N-CAPROIC ACID [MI], 4-02-00-00917 (Beilstein Handbook Reference), SCHEMBL297722, SCHEMBL1405713, SCHEMBL1824427, SCHEMBL2800014, SCHEMBL4274857, SCHEMBL6050168, Sodium Caprylate EP Impurity A, Hexanoic Acid, Standard For Gc, BDBM16433, 1-PENTANE CARBOXYLIC ACID, MSK1704, Hexanoic acid, analytical standard, FCA32068, STR10048, Tox21_201517, Tox21_300406, EBC-04381, FA 6:0, LMFA01010006, SBB053586, Caproic acid Natural (Hexanoic acid), Hexanoic acid, >=98%, FCC, FG, AKOS000119844, AT48018, FA(6:0), Caproic acid [UN2829]  [Corrosive], Caproic acid Deironized (Hexanoic acid), Hexanoic acid, natural, >=98%, FCC, NCGC00248020-01, NCGC00248020-02, NCGC00254504-01, NCGC00259067-01, FC145216, Hexanoic acid, purum, >=98.0% (GC), Hexanoic acid 10 microg/mL in Acetonitrile, H0105, Hexanoic acid, natural, >=98%, FCC, FG, NS00003820, ST51046281, EN300-21589, C01585, Caproic acid Natural Deironized (Hexanoic acid), F066626, Q422597, 25401AB4-1ECB-481F-AC91-EAAFC9329BDD, CAPROIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC], Z104503532, InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8
Theoretical properties:
molecular_formula: C6H12O2
molecular_weight: 116.16 g/mol
exact_mass: 116.083729621 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 4
heavy_atom_count: 8
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Oily liquid
color: Oily liquid
odor: Characteristic goat-like odor
boiling_point: 396 to 397 °F at 760 mmHg (NTP, 1992)
melting_point: 27 °F (NTP, 1992)
density: 0.927 (USCG, 1999) - Less dense than water; will float
solubility: 5 to 10 mg/mL at 72 °F (NTP, 1992)
flash_point: 220 °F (NTP, 1992)
vapor_pressure: 0.2 mmHg at 68 °F ; 1 mmHg at 158 °F; 20 mmHg at 233.2 °F (NTP, 1992)
Descriptions:
pubchem: Hexanoic acid is a C6, straight-chain saturated fatty acid. It has a role as a plant metabolite and a human metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of a hexanoate.
chebi: A C<small><sub>6</sub></small>, straight-chain saturated fatty acid.
chembl: HEXANOATE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Caproic acid, also known as hexanoic acid, is the carboxylic acid derived from hexane with the chemical formula CH3(CH2)4COOH. It is a colorless oily liquid with a fatty, cheesy, waxy odor resembling that of goats or other barnyard animals. It is a fatty acid found naturally in various animal fats and oils, and is one of the chemicals that gives the decomposing fleshy seed coat of the ginkgo its characteristic unpleasant odor. It is also one of the components of vanilla and cheese. Salts and esters of caproic acid are known as caproates or hexanoates. 
Two other acids are named after goats: caprylic acid (C8) and capric acid (C10). Along with caproic acid, they account for 15% of the fat in goat's milk.
Caproic, caprylic, and capric acids (capric is a crystal- or wax-like substance, whereas the other two are mobile liquids) are used for the formation of esters, and also commonly used "neat" in: butter, milk, cream, strawberry, bread, beer, nut, and other flavors.