Compound: NONANOIC ACID
SMILES: O=C(O)CCCCCCCC
InChIKey: FBUKVWPVBMHYJY-UHFFFAOYSA-N
Synonyms: NONANOIC ACID, Pelargonic acid, 112-05-0, n-Nonanoic acid, Nonoic acid, Nonylic acid, Pelargic acid, 1-Octanecarboxylic acid, n-Nonylic acid, n-Nonoic acid, Pelargon, Hexacid C-9, Cirrasol 185A, Emfac 1202, 1-Octanecarboxyic acid, FEMA No. 2784, DTXSID3021641, CHEBI:29019, 97SEH7577T, NSC-62787, DTXCID901641, NSC62787, NSC-65450, NSC-65455, RefChem:166452, 203-931-2, pergonic acid, 1-nonanoic acid, MFCD00004433, Nonansaeure, Pelargonsaeure, NSC 62787, CH3-[CH2]7-COOH, pergonate, n-nonanoate, 1-nonanoate, C9:0, 1-octanecarboxylate, Pelargon [Russian], CAS-112-05-0, GRANTRICO, THINEX, HSDB 5554, EINECS 203-931-2, EPA Pesticide Chemical Code 217500, BRN 1752351, n-Pelargonate, UNII-97SEH7577T, Nonanoic cid, AI3-04164, n-Nonylate, non-anoic acid, n-Nonoate, n-pelargonic acid, Nonanoic Acid Anion, Acid C9, PELARGONICACID, Nonanoic acid, 96%, 3sz1, Emery's L-114, Emery 1202, Emery 1203, octane-1-carboxylic acid, Nonanoic acid (Standard), Nonanoic acid, >=97%, bmse000499, EC 203-931-2, WLN: QV8, NCIOpen2_000142, NCIOpen2_000179, NCIOpen2_001763, NCIOpen2_002882, NCIOpen2_003483, NONANOIC ACID [FCC], SCHEMBL21966, SCHEMBL54806, Emery 1202 (Salt/Mix), NONANOIC ACID [FHFI], NONANOIC ACID [HSDB], PELARGONIC ACID [MI], 4-02-00-01018 (Beilstein Handbook Reference), MLS001066339, SCHEMBL147025, SCHEMBL241496, SCHEMBL296797, CHEMBL108436, Nonanoic acid, >=96%, FG, orb1303531, orb3025253, QSPL 030, SCHEMBL4273684, SCHEMBL4421835, SCHEMBL6802002, nonanoic acid (pelargonic acid), Sodium Caprylate EP Impurity C, SCHEMBL11253604, SCHEMBL19713132, HY-N7057R, MSK1707, HMS2269L08, HMS5084E03, Nonanoic acid, analytical standard, HY-N7057, Nonanoic acid, natural, 98%, FG, Tox21_202426, Tox21_300022, BBL027459, BDBM50556776, EBC-46124, FA 9:0, LMFA01010009, s4949, SBB058693, STL372710, AKOS000118981, NONANOIC ACID  MFC9 H18 O2, CCG-231471, FN34493, NCGC00164328-01, NCGC00164328-02, NCGC00164328-03, NCGC00253958-01, NCGC00259975-01, BP-27910, DA-76248, SMR000112203, VS-08541, CS-0076036, N0288, NS00009752, P0952, ST51037369, EN300-19260, C01601, F161400, Q369777, F0001-2447, Z104473336, F57B4D17-8824-403B-AE1B-FA425608BB39, InChI=1/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11
Theoretical properties:
molecular_formula: C9H18O2
molecular_weight: 158.24 g/mol
exact_mass: 158.130679813 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 7
heavy_atom_count: 11
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless, oily liquid at ordinary temp; crystallizes when cooled
color: Colorless, oily liquid at ordinary temp; crystallizes when cooled
odor: FATTY ODOR
boiling_point: 254.5 °C
melting_point: 12.4 °C
density: 0.9052 g/cu cm at 20 °C
solubility: Soluble in ethanol, chloroform, ether
flash_point: 133 °C (open cup)
vapor_pressure: 0.00165 [mmHg]
Descriptions:
pubchem: Nonanoic acid is a C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers. It has a role as an antifeedant, a plant metabolite, a Daphnia magna metabolite and an algal metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of a nonanoate. It derives from a hydride of a nonane.
chebi: A C<small><sub>9</sub></small> straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers.
chembl: NONANOATE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Pelargonic acid, also called nonanoic acid, is an organic compound with structural formula CH3(CH2)7CO2H. It is a nine-carbon fatty acid.  Nonanoic acid is a colorless oily liquid with an unpleasant, rancid odor. It is nearly insoluble in water, but very soluble in organic solvents. The esters and salts of pelargonic acid are called pelargonates or nonanoates.
The acid is named after the pelargonium plant, since oil from its leaves contains esters of the acid.