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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 | 2-[bis(2-hydroxyethyl)amino]ethanol |
| canonical smiles | C(CO)N(CCO)CCO |
| inchi | InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2 |
| inchi key | GSEJCLTVZPLZKY-UHFFFAOYSA-N |
| molecular formula | C6H15NO3 |
| synonyms | |
| Compound Description |
| Molecular Weight: | 149.19 g/mol |
| XLogP3: | -1 |
| Hydrogen Bond Donor Count: | 3 |
| Hydrogen Bond Acceptor Count: | 4 |
| Rotatable Bond Count: | 6 |
| Exact Mass: | 149.10519334 g/mol |
| Monoisotopic Mass: | 149.10519334 g/mol |
| Topological Polar Surface Area: | 63.9 Ų |
| Heavy Atom Count: | 10 |
| Formal Charge: | 0 |
| Complexity: | 55.7 |
| 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, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
| hazard statements | |
| hazards summary | Occupational asthma and allergic contact dermatitis in machinists and photographers. Animals sustain liver and kidney damage after high-dose feeding studies. A skin, eye, and respiratory tract irritant. May cause skin sensitization. Low acute toxicity, with median oral LD50 values of 4,190-11,260 mg/kg in rats and 5,300-8,000 mg/kg in guinea pigs. Median dermal LD50 greater than 2,000 mg/kg in rabbits. No evidence of skin sensitization in animal studies or in a group of 64 human volunteers. Low incidence of skin sensitization reported in humans. Not carcinogenic, a developmental toxicant, or toxic to the reproductive system. An eye irritant. May cause skin sensitization. Chronic exposure may cause liver and kidney injury. |
| toxicity summary | IDENTIFICATION AND USE: Triethanolamine is a colorless, or pale yellow viscous liquid. Triethanolamine is used in the manufacture of emulsifiers and dispersing agents for textile specialties, agricultural chemicals, waxes, mineral and vegetable oils, paraffin, polishes, cutting oils, petroleum demulsifiers, and cement additives. It is an intermediate for resins, plasticizers, and rubber chemicals. It is used as a lubricant in the textile industry, as a humectant and softening agent for hides, as an alkalizing agent and surfactant in pharmaceuticals, as an absorbent for acid gases, and in organic syntheses. It can be useful for rapid detection and identification of chemical warfare agents. TEA has been tested as experimental therapy. HUMAN EXPOSURE AND TOXICITY: Triethanolamine produce mild skin irritation only in concentrations above 5%. It has not been shown to be a sensitizer. Triethanolamine has been identified as causing allergic contact dermatitis, erythematous vesicular lesions, eczema, contact dermatitis, and irritation in workers exposed to triethanolamine in their occupations. A total of 1,357 patients suspected of having allergic eczematous contact dermatitis were patch-tested with triethanolamine. Positive tests were obtained in 41 of these 1,357 patients. The ingestion of several ounces of triethanolamine can probably be tolerated by man, but unless the liquid is partly neutralized with acid, alkali burns of the mouth, pharynx and esophagus are likely. Three cases of occupational asthma caused by ethanolamines were summarized. The three cases share one common feature: exposure to triethanolamines occurred at temperatures higher than that of the ambient air. This agrees with the view that significant inhalation exposure to ethanolamines does not occur when the compounds are used under ambient conditions. ANIMAL STUDIES: Applications of 5 or 10% solution to rabbit or rat skin did not produce irritation. TEA was tested by application of a drop to rabbit eyes. It caused moderate, presumably transient injury, graded 5 on a scale of 1 to 10 after 24 hr, and in another test caused negligible irritation. In a 90-day subacute feeding study with rats, the max dose producing no effect was 80 mg/kg. Microscopic lesions and deaths occurred at 730 mg/kg, and 107 mg/kg produced alterations in liver and kidney weights. Fourteen day repeated dose studies of TEA in rats and mice were performed by inhalation, drinking water, or dermal routes of exposure. Exposures for both species in the inhalation study were 0, 125, 250, 50, 1000 or 2000 mg/cu m, 6 hr/day, 5 days/wk, for 2 wk . The only histopathologic observation was a minimal acute inflammation of the laryngeal submucosa in rats and mice. In the oral study, concentrations of triethanolamine in drinking water were 0, 500, 1000, 2000, 4000, and 8000 mg/100 mL. Water consumption was significantly reduced in the 4 and 8% dose groups of rats and mice. No compound-related gross or microscopic lesions were observed in the liver or kidneys of rats; cytoplasmic vacuolization of hepatocytes was observed in the high dose groups of male and female mice. Dose levels of triethanolamine in the dermal study were 0, 140, 280, 560, 1130 and 2250 mg/kg for rats and 0, 210, 430, 840, 1690, and 3370 mg/kg for mice. Triethanolamine was applied as the undiluted compound, 5 days/wk for 2 wk. Chronic active necrotizing inflammation of the skin at the application site was observed at a greater frequency and severity in dosed rats than in dosed mice. A Chernoff-Kavlock teratogenicity screening test was performed using mated female mice, in which the animals were dosed by gavage with 1125 mg/kg/day triethanolamine on days 6-15 of gestation. No adverse developmental effects were observed. In a battery of short-term tests, triethanolamine did not induce mutations in bacteria , mitotic gene conversion in Saccharomyces cerevisae JD1 cells, or chromosomal damage in cultured rat liver RAL4 cells. Triethanolamine was inactive in inducing revertants to histidine prototrophy in the excision repair deficient Bacillus subtilis strain TKJ5211 with or without rat liver S-9 preparations. In 2-year NTP dermal study, there was equivocal evidence of carcinogenic activity of triethanolamine in male mice based on the occurrence of liver hemangiosarcoma. There was some evidence of carcinogenic activity in female mice based on increased incidences of hepatocellular adenoma. Exposure to triethanolamine by dermal application resulted in increased incidences of eosinophilic focus of the liver in males and females. Dosed mice developed treatment-related nonneoplastic lesions at the site of application. ECOTOXICITY STUDIES: TEA may produce potential acute, sub-chronic and chronic toxicity effects in aquatic species. |
| symptoms | Inhalation Symptoms: Cough. Sore throat. Skin Symptoms: Redness. Eye Symptoms: Redness. |
| carcinogen classification | IARC Carcinogenic Agent: Triethanolamine |
| carcinogen classification | IARC Carcinogenic Classes: Group 3: Not classifiable as to its carcinogenicity to humans |
| carcinogen classification | IARC Monographs: Volume 77: Some Industrial Chemicals |
| carcinogen classification | default_key: 3, not classifiable as to its carcinogenicity to humans. |
