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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!
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Bulk Quote| IUPAC name | hexanedioic acid |
| canonical smiles | C(CCC(=O)O)CC(=O)O |
| inchi | InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) |
| inchi key | WNLRTRBMVRJNCN-UHFFFAOYSA-N |
| molecular formula | C6H10O4 |
| synonyms | |
| Compound Description |
| Molecular Weight: | 146.14 g/mol |
| XLogP3: | 0.1 |
| Hydrogen Bond Donor Count: | 2 |
| Hydrogen Bond Acceptor Count: | 4 |
| Rotatable Bond Count: | 5 |
| Exact Mass: | 146.05790880 g/mol |
| Monoisotopic Mass: | 146.05790880 g/mol |
| Topological Polar Surface Area: | 74.6 Ų |
| Heavy Atom Count: | 10 |
| Formal Charge: | 0 |
| Complexity: | 114 |
| Isotope Atom Count: | 0 |
| Defined Atom Stereocenter Count: | 0 |
| Undefined Atom Stereocenter Count: | 0 |
| Defined Bond Stereocenter Count: | 0 |
| Undefined Bond Stereocenter Count: | 0 |
| Covalently-Bonded Unit Count: | 1 |
| Compound Is Canonicalized: | Yes |
| Related Compounds |
| hazard signal | Warning |
| hazard classes and categories | |
| precautionary statement codes | P264+P265, P280, P305+P351+P338, and P337+P317 |
| hazard statements | |
| hazards summary | A skin and eye irritant. Practically non-toxic. Occupational asthma reported in a solderer and confirmed by broncho-provocation testing. A functional disorder of the autonomic nervous system in workers exposed to adipic acid was reported in 1981. Otherwise, only irritant effects have been reported. Insoluble in water. May absorb water from the air and corrode metals. Harmful to the environment. |
| toxicity summary | IDENTIFICATION AND USE: Adipic acid is white crystalline solid. The major markets for adipic acid include use as feedstocks for nylon 6,6 resins and fibers, polyester polyols and plasticzers. Nylon 6,6 fibers and engineering resins accounted for approximately 85% of total adipic acid consumption in 2011. Polyester polyols and plasticizers, which combined accounted for 24-32% of global adipic acid consumption in 2010 . Other applications documented for adipic acid are as a lubricant additive in coatings, and foams, and in shoe soles, as tanning agent in leather industry, pH regulator in processes such as in the production of cleaning agents, pelletizing agent in disinfectant pills for drinking water, additive in flue gas sulfurization, in the coating of dishwashing machine tablets and as an additive in chemicals. Adipic acid has been identified as being used in hydraulic fracturing as a gelling agent. HUMAN EXPOSURE AND TOXICITY: Adipic acid exhibits an asthma hazard index of 0.75 using the chemical asthma hazard assessment program. Substances with indices of >0.5 have a high probability of being an asthmagen. Threshold for irritation of the human eye was 20 mg/cu m. ANIMAL STUDIES: Adipic acid is slightly toxic on acute exposure but produces moderate to severe eye irritation in rabbits . High concentrations of adipic acid can cause persistent pulmonary structural and functional alterations. In both mice and rabbits, lethal doses produce signs of inactivity, stomach and intestinal distention, and irritation and hemorrhage of the intestines. A group of mice received intravaginally, three time weekly, applications of a powdered mixture containing urea, adipic acid, and carboxymethyl cellulose. There was a high incidence of vaginal cancer after prolonged treatment. Experiments extended over one year, in which the three ingredients were given separately, yielded no tumors. Adipic acid is not mutagenic in Salmonella typhimurium strains TA98, TA100, TA1535, TA1537, and TA1538 or in Escherichia coli ) with or without rat microsomal activation. ECOTOXICITY STUDIES: Adipic acid is slightly to moderately toxic to fish, daphnia, and algae in acute tests. |
