Compound: HEPTANOIC ACID
SMILES: O=C(O)CCCCCC
InChIKey: MNWFXJYAOYHMED-UHFFFAOYSA-N
Synonyms: HEPTANOIC ACID, 111-14-8, Enanthic acid, Enanthylic acid, Oenanthic acid, Heptoic acid, n-Heptylic acid, n-Heptoic acid, Oenanthylic acid, 1-Hexanecarboxylic acid, Hexacid C-7, FEMA No. 3348, Heptanoic acid (natural), NSC 2192, CCRIS 6042, enanthoic acid, Hepthlic acid, HSDB 5546, UNII-THE3YNP39D, THE3YNP39D, EINECS 203-838-7, BRN 1744723, DTXSID2021600, AI3-02073, Artec ultra conditioning teat dip, HEPTANOIC AICD-, NSC-2192, DTXCID301600, CHEBI:45571, NSC2192, EC 203-838-7, 4-02-00-00958 (Beilstein Handbook Reference), ENANTHIC ACID (USP-RS), ENANTHIC ACID [USP-RS], TESTOSTERONE ENANTATE IMPURITY A (EP IMPURITY), TESTOSTERONE ENANTATE IMPURITY A [EP IMPURITY], Heptansaeure, Oenanthsaeure, Cynergy, Hexacid, Artec, WinterCare, Cynergy Barrier, Winter Dip, Chem-Star Recover, Acid C7 heptanoic, hexane carboxylic acid, Chem-Star Code Green, RefChem:5880, Chem-Star Barrier 710, 5-HEXACID C-7, CH3-(CH2)5-COOH, 203-838-7, n-Heptanoic acid, Heptylic acid, MFCD00004426, C7:0, sec-Heptanoic acid, CAS-111-14-8, SHV, Technetium Medronate, heptanoic-acid, 1-heptanoic acid, DKL, Heptanoic--d7 Acid, Heptanoic acid, 96%, hexane-1-carboxylic acid, Heptanoic acid, >=97%, SCHEMBL3564, WLN: QV6, HEPTANOIC ACID [MI], NCIOpen2_005395, Heptanoic acid, 97%, FG, SCHEMBL96277, Heptanoic acid, natural, FG, 101488-09-9, MLS002415755, HEPTANOIC ACID [FHFI], HEPTANOIC ACID [HSDB], SCHEMBL128509, SCHEMBL155222, SCHEMBL297072, CHEMBL320358, SCHEMBL4270636, SCHEMBL4273477, SCHEMBL4418767, SCHEMBL6801549, SCHEMBL8010768, SCHEMBL8091962, Sodium Caprylate EP Impurity B, HMS2267D15, Heptanoic acid, analytical standard, Tox21_201830, Tox21_300342, EBC-04263, FA 7:0, Heptanoic acid, >=98.0% (GC), Heptanoic acid, >=99.0% (GC), LMFA01010007, SBB053587, STL481898, AKOS000119950, DB02938, FH33951, HEPTANOIC ACID  (ENANTIC ACID), NCGC00091189-01, NCGC00091189-02, NCGC00091189-03, NCGC00254267-01, NCGC00259379-01, SMR001261667, H0030, NS00010236, ST51046282, EN300-19601, C17714, F066627, Q297592, E3F2CC4A-F2B5-4353-8922-355FA750FEAC, F0001-0233, Z104474412, Enanthic Acid, United States Pharmacopeia (USP) Reference Standard, InChI=1/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9
Theoretical properties:
molecular_formula: C7H14O2
molecular_weight: 130.18 g/mol
exact_mass: 130.099379685 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 5
heavy_atom_count: 9
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: CLEAR OILY LIQUID
color: CLEAR OILY LIQUID
odor: Disagreeable, rancid odor; faint tallow-like odor when spectroscopically pure.
boiling_point: 432 to 473 °F at 760 mmHg (NTP, 1992)
melting_point: 16 °F (NTP, 1992)
density: 0.92 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 1 to 10 mg/mL at 73 °F (NTP, 1992)
flash_point: greater than 235 °F (NTP, 1992)
vapor_pressure: 1 mmHg at 172 °F ; 100 mmHg at 320 °F; 760 mmHg at 430.7 °F (NTP, 1992)
Descriptions:
pubchem: Heptanoic acid is a C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes. It has a role as a plant metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of a heptanoate.
chebi: A C<small><sub>7</sub></small>, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes.
chembl: HEPTANOATE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Enanthic acid, also called heptanoic acid, is an organic compound composed of a seven-carbon chain terminating in a carboxylic acid functional group. It is a colorless oily liquid with an unpleasant, rancid odor. It contributes to the odor of some rancid oils. It is slightly soluble in water, but very soluble in ethanol and ether. Salts and esters of enanthic acid are called enanthates or heptanoates.
Its name derives from the Latin oenanthe which is in turn derived from the Ancient Greek oinos "wine" and anthos "blossom."