Compound: adipic acid
SMILES: O=C(O)CCCCC(=O)O
InChIKey: WNLRTRBMVRJNCN-UHFFFAOYSA-N
Synonyms: adipic acid, hexanedioic acid, 124-04-9, Adipinic acid, 1,4-Butanedicarboxylic acid, Adilactetten, Acifloctin, Acinetten, 1,6-Hexanedioic acid, Molten adipic acid, Kyselina adipova, FEMA No. 2011, Adipinsaure, Acide adipique, Adipidic acid, NSC-7622, 76A0JE0FKJ, INS NO.355, DTXSID7021605, AI3-03700, INS-355, E-355, E355, DTXCID301605, CHEBI:30832, hexanedioate;hydron, adipic acid, Cu salt, RefChem:6372, adipic acid, Mg salt (1:1), adipic acid, Cu(+2) salt (1:1), 204-673-3, 432-790-1, Adipinsaure [German], Acide adipique [French], Kyselina adipova [Czech], Hexanedioate, Adipinsaeure, adipic-acid, Hexanedioc acid, Adi-pure, NSC 7622, MFCD00004420, Adipic acid [NF], hexane-1,6-dioic acid, 1,6-HEXANE-DIOIC ACID, NSC7622, ADIPIC-1,6-13C2 ACID, Adipic acid (NF), NCGC00091345-01, Adipic acid; Hexanedioic acid, adipicacid, FEMA Number 2011, Hexanedioic-3,3,4,4-d4acid(9ci), CAS-124-04-9, CCRIS 812, HSDB 188, EINECS 204-673-3, UNII-76A0JE0FKJ, BRN 1209788, Adipinate, Molten adipate, Adipic acid CRS, hexane dioic acid, 1,6-Hexanedioate, 0L1, Adipic acid, 99%, Adipic acid (Standard), Adipic acid, >=99%, ADIPIC ACID [II], ADIPIC ACID [MI], WLN: QV4VQ, ADIPIC ACID [FCC], bmse000424, EC 204-673-3, ADIPIC ACID [FHFI], ADIPIC ACID [HSDB], SCHEMBL4930, CHEMBL1157, NCIOpen2_001004, NCIOpen2_001222, HOOC-(CH2)4-COOH, ADIPIC ACID [MART.], Adipic acid, >=99.5%, 4-02-00-01956 (Beilstein Handbook Reference), ADIPIC ACID [USP-RS], ADIPIC ACID [WHO-DD], BIDD:ER0342, INS No. 355, orb1306032, orb3025947, SCHEMBL1226100, SCHEMBL5491644, SCHEMBL5569824, SCHEMBL7697611, SCHEMBL8483541, Adipic acid, puriss., 99.8%, HMS5086J04, Pharmakon1600-01301012, ADIPIC ACID [EP MONOGRAPH], HY-W017522R, Tox21_111118, Tox21_202161, Tox21_300344, BBL011615, EBC-03114, LMFA01170048, NSC760121, s3594, SBB040846, STL163338, Loxoprofen Impurity 22; Adipic Acid, AKOS000119031, MSK4436-1000M, Tox21_111118_1, CCG-230896, CS-W018238, FH37732, HY-W017522, NSC-760121, NCGC00091345-02, NCGC00091345-03, NCGC00091345-04, NCGC00091345-05, NCGC00254389-01, NCGC00259710-01, AC-10343, BP-21150, BP-30248, A0161, Adipic acid, BioXtra, >=99.5% (HPLC), Adipic acid, SAJ special grade, >=99.5%, E 355, NS00005309, ST50214430, Adipic acid Solution in Methanol, 1000ug/mL, EN300-18041, Adipic acid, Vetec(TM) reagent grade, >=99%, C06104, D08839, D70505, SBI-0653842.0001, AB00988898-01, AB00988898-03, F995062, Q357415, SR-01000944270, SR-01000944270-2, BRD-K10656395-001-02-1, Z57127533, Adipic acid, certified reference material, TraceCERT(R), F0001-0377, Adipic acid, European Pharmacopoeia (EP) Reference Standard, 1F1316F2-7A32-4339-8C2A-8CAA84696C95, Adipic acid, United States Pharmacopeia (USP) Reference Standard, InChI=1/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10
Theoretical properties:
molecular_formula: C6H10O4
molecular_weight: 146.14 g/mol
exact_mass: 146.05790880 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 5
heavy_atom_count: 10
topological_polar_surface_area: 74.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Monoclinic prisms from ethyl acetate, water, or acetone and petroleum ether
color: Monoclinic prisms from ethyl acetate, water, or acetone and petroleum ether
odor: Odorless
boiling_point: 337.5 °C at 760 mm Hg: 265 °C at 100 mm Hg: 240.5 °C at 40 mm Hg: 222 °Cat 20 mm Hg: 205.5 °C at 10 mm Hg; 191 °C at 5 mm Hg; 159.5 °C at 1.0 mm Hg
melting_point: 304 °F (USCG, 1999)
density: 1.36 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: Slightly soluble in water. Freely soluble in ethanol
flash_point: 376 °F Combustible solid (USCG, 1999)
vapor_pressure: 3.02X10-5 Pa at 25 °C (2.27X10-7 mm Hg)
Descriptions:
pubchem: Adipic acid is an alpha,-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane. It has a role as a food acidity regulator and a human xenobiotic metabolite. It is a dicarboxylic fatty acid and an alpha,omega-dicarboxylic acid. It is a conjugate acid of an adipate(1-).
chebi: An α,ω-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane.
chembl: ADIPIC ACID is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Adipic acid or hexanedioic acid is an organic compound with the chemical formula C6H10O4. It is a white crystalline powder at standard temperature and pressure. From an industrial perspective, it is the most important dicarboxylic acid at about 2.5 billion kilograms produced annually, mainly as a precursor for the production of nylon. Adipic acid otherwise rarely occurs in nature, but it is known as manufactured E number food additive E355. Salts and esters of adipic acid are known as adipates.