Adipic Acid
PubChem CID: 196
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| Compound Synonyms | adipic acid, hexanedioic acid, 124-04-9, Adipinic acid, 1,4-Butanedicarboxylic acid, Acifloctin, Acinetten, Adilactetten, 1,6-Hexanedioic acid, Molten adipic acid, Kyselina adipova, FEMA No. 2011, Adipinsaeure, Adipinsaure, adipic-acid, Adipinsaure [German], Acide adipique, Adipidic acid, Acide adipique [French], FEMA Number 2011, Kyselina adipova [Czech], Hexanedioate, NSC 7622, CCRIS 812, ADIPIC-DB ACID, HSDB 188, Hexanedioc acid, Adi-pure, UNII-76A0JE0FKJ, NSC-7622, EINECS 204-673-3, 76A0JE0FKJ, MFCD00004420, Adipic acid [NF], BRN 1209788, INS NO.355, CHEBI:30832, AI3-03700, INS-355, E-355, Hexan-1,6-dicarboxylate, E355, INS No. 355, 1,6-HEXANE-DIOIC ACID, DTXSID7021605, NSC7622, EC 204-673-3, ADIPIC-1,6-13C2 ACID, 4-02-00-01956 (Beilstein Handbook Reference), Adipic acid (NF), NCGC00091345-01, hexane-1,6-dioic acid, E 355, ADIPIC ACID (II), ADIPIC ACID [II], ADIPIC ACID (MART.), ADIPIC ACID [MART.], Adipic acid, Hexanedioic acid, DTXCID301605, adipicacid, ADIPIC ACID (EP MONOGRAPH), ADIPIC ACID [EP MONOGRAPH], CAS-124-04-9, Adipinate, Adilac-tetten, Molten adipate, hexane dioic acid, 1,6-Hexanedioate, 0L1, ASAPIC, Adipic acid, 99%, INIPOL DS, Adipic acid (Standard), Adipic acid, >=99%, ADIPIC ACID [MI], WLN: QV4VQ, ADIPIC ACID [FCC], bmse000424, ADIPIC ACID [FHFI], ADIPIC ACID [HSDB], SCHEMBL4930, CHEMBL1157, NCIOpen2_001004, NCIOpen2_001222, HOOC-(CH2)4-COOH, Adipic acid, >=99.5%, ADIPIC ACID [USP-RS], ADIPIC ACID [WHO-DD], BIDD:ER0342, Adipic acid, puriss., 99.8%, Pharmakon1600-01301012, HY-W017522R, Tox21_111118, Tox21_202161, Tox21_300344, BBL011615, LMFA01170048, NSC760121, s3594, STL163338, AKOS000119031, 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%, NS00005309, EN300-18041, Adipic acid, Vetec(TM) reagent grade, >=99%, C06104, D08839, D70505, EC 432-790-1, SBI-0653842.0001, AB00988898-01, AB00988898-03, 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, Flavor and Extract Manufacturers' Association Number 2011, 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, 204-673-3, 847871-03-8 |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | WNLRTRBMVRJNCN-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| State | Liquid |
| Substituent Name | Medium-chain fatty acid, Dicarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Synonyms | 1, 4-Butanedicarboxylic acid, 1,4-Butanedicarboxylate, 1,4-Butanedicarboxylic acid, 1,6-HEXANE-DIOIC ACID, 1,6-Hexanedioate, 1,6-Hexanedioic acid, 3385-41-9 (di-ammonium salt), 7486-38-6 (di-hydrochloride salt), 7486-39-7 (magnesium[1:1] salt), Acifloctin, Acinetten, Adi-pure, Adi-pure high purity adipic acid, Adi-pure lga adipic acid, Adi-pure(r) high purity adipic acid, Adi-pure(r) lga adipic acid, Adilactetten, Adipate, Adipic acid, Adipinate, Adipinic acid, Adipinsaeure, Butane-1,4-dicarboxylic acid, e 355, e-355, E355, FEMA 2011, Hexan-1,6-dicarboxylate, Hexanedioate, Hexanedioc acid, Hexanedioic acid, sodium salt, INS no. 355, Kyselina adipova, Molten adipate, Molten adipic acid, e355, Hexanedioic acid, Hexan-1,6-dicarboxylic acid, Adipic acid, calcium salt, Adipic acid, disodium salt, Sodium adipate, Adipic acid, cu(+2) salt, Adipic acid, cu(+2) salt (1:1), Adipic acid, diammonium salt, Adipic acid, sodium salt, Adipic acid, cu salt, Adipic acid, potassium salt, Ammonium adipate, Magnesium adipate, Adipic acid, MG salt (1:1), Adipic acid, monoammonium salt, Adipic acid, nickel salt, Diammonium adipate |
| Heavy Atom Count | 10.0 |
| Compound Name | Adipic Acid |
| Kingdom | Organic compounds |
| Description | Constituent of beet juice, pork fat, guava fruit (Psidium guajava), papaya (Carica papaya) and raspberry (Rubus idaeus). Food acidulant Adipic acid is a compound of the class of carboxylic acids that is derived from oxidation of various fats. It is a white crystalline powder appearing as an acid in aqueous circumstances, though it is not highly soluble (wikipedia), Adipic acid, like most carboxylic acids, is a mild skin irritant. It is mildly toxic, with LD50 of 3600 mg/kg for oral ingestion by rats., By far the majority of the 2.5 billion kg of adipic acid produced annually is used as monomer for the production of nylon by a polycondensation reaction with hexamethylene diamine forming 6,6-nylon. Other major applications also involve polymers: it is a monomer for production of Polyurethane and its esters are plasticizers, especially in PVC. Hexanedioic acid is found in many foods, some of which are common beet, red beetroot, fats and oils, and root vegetables. |
| Exact Mass | 146.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 146.058 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 114.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 146.14 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexanedioic acid |
| Total Atom Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Fatty Acyls |
| Inchi | InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) |
| Smiles | C(CCC(=O)O)CC(=O)O |
| Xlogp | 0.1 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Fatty acids and conjugates |
| Taxonomy Direct Parent | Medium-chain fatty acids |
| Molecular Formula | C6H10O4 |
- 1. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all