Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C11H13N3O3S.C4H11NO2 |
| Molecular Weight | 372.44 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OCCNCCO.CC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C
InChI
InChIKey=FEPTXVIRMZIGFY-UHFFFAOYSA-N
InChI=1S/C11H13N3O3S.C4H11NO2/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;6-3-1-5-2-4-7/h3-6,14H,12H2,1-2H3;5-7H,1-4H2
Diethanolamine (DEA) is an amino alcohol commonly used in the preparation of soaps and surfactants, agricultural chemicals and in textile processing. DEA and DEA-Derivatives are used in other products besides cosmetics and personal care products. For example, DEA and DEA-derivatives have been approved for several food-related applications, primarily food packaging.
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| NTP Toxicology and Carcinogenesis Studies of Diethanolamine (CAS No. 111-42-2) in F344/N Rats and B6C3F1 Mice (Dermal Studies). | 1999 Jul |
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| NTP Toxicology and Carcinogenesis Studies of Lauric Acid Diethanolamine Condensate (CAS NO. 120-40-1) in F344/N Rats and B6C3F1 Mice (Dermal Studies). | 1999 Jul |
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| Sulfur-to-nitrogen transnitrosation: transfer of nitric oxide from S-nitroso compounds to diethanolamine and the role of intermediate sulfur-to-sulfur transnitrosation. | 2001 Jun 21 |
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| Incorporating mechanistic data into risk assessment. | 2002 Dec 27 |
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| Local anaesthetic effects and toxicity of seven new diethanolamine and morpholine derivatives of fomocaine. Testing in rats compared with procaine and tetracaine. | 2003 |
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| The use of complexation with alkanolamines to facilitate skin permeation of mefenamic acid. | 2003 Aug 27 |
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| Absorption and reaction kinetics of amines and ammonia solutions with carbon dioxide in flue gas. | 2003 Feb |
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| A new stressed test to predict the foreign matter formation of minodronic acid in solution. | 2003 Jan 30 |
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| Water-soluble degradable hyperbranched polyesters: novel candidates for drug delivery? | 2003 May-Jun |
|
| An adapted ELISA method for differentiating pathogenic from nonpathogenic aPL by a beta 2 glycoprotein I dependency anticardiolipin assay. | 2004 |
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| [Assessment of the emission of volatile organic compounds from polyurethane foams]. | 2004 |
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| Synthesis, structure, and dynamics of six-membered metallacoronands and metallodendrimers of iron and indium. | 2004 Apr 19 |
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| Theoretical scales of hydrogen bond acidity and basicity for application in QSAR/QSPR studies and drug design. Partitioning of aliphatic compounds. | 2004 May-Jun |
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| Determination of volatile corrosion inhibitors by capillary electrophoresis. | 2004 Oct 8 |
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| Patch test results with the metalworking fluid series of the German Contact Dermatitis Research Group (DKG). | 2004 Sep |
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| Determination of diethanolamine or N-methyldiethanolamine in high ammonium concentration matrices by capillary electrophoresis with indirect UV detection: application to the analysis of refinery process waters. | 2004 Sep |
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| Chemical destabilization of oil-in-water emulsion by novel polymerized diethanolamines. | 2005 Apr 1 |
|
| Review of the carcinogenic activity of diethanolamine and evidence of choline deficiency as a plausible mode of action. | 2005 Dec |
|
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | 2005 Jun |
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| Percutaneous penetration of diethanolamine through human skin in vitro: application from cosmetic vehicles. | 2005 May |
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| Ecotoxicological evaluation of diethanolamine using a battery of microbiotests. | 2005 Oct |
|
| Mechanistic explanation to the catalysis by pyrazinamide and ethambutol of reaction between rifampicin and isoniazid in anti-TB FDCs. | 2005 Oct 4 |
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| Diethanolamine alters neurogenesis and induces apoptosis in fetal mouse hippocampus. | 2006 Aug |
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| Synthesis, structure, and hydrolytic reaction of trans-dichlorobis(diethanolamine-N)palladium(II) with N-acetylated L-histidylglycine dipeptide. | 2006 Oct |
|
| Diethanolamine alters proliferation and choline metabolism in mouse neural precursor cells. | 2007 Apr |
|
| hnRNP E1 and E2 have distinct roles in modulating HIV-1 gene expression. | 2007 Apr 23 |
|
| Regenerating fuel-gas desulfurizing agents by using bipolar membrane electrodialysis (BMED): effect of molecular structure of alkanolamines on the regeneration performance. | 2007 Feb 1 |
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| Simultaneous monitoring of inorganic cations, amines and amino acids in human sweat by capillary electrophoresis. | 2007 Jan 2 |
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| Ternary complexes of flurbiprofen with HP-beta-CD and ethanolamines characterization and transdermal delivery. | 2007 Mar |
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| Biodegradation of novel amino acid derivatives suitable for complexing agents in pulp bleaching applications. | 2007 May 1 |
|
| Repeated dose toxicity and developmental toxicity of diisopropanolamine to rats. | 2007 Oct |
|
| Use of high-boiling point organic solvents for pulping oil palm empty fruit bunches. | 2008 Apr |
Patents
Sample Use Guides
MICE: Groups of 50 male and 50 female mice were administered 0, 40, 80, or 160 mg diethanolamine/kg body weight in ethanol dermally for 2 years. In male mice, the incidences of hepatocellular adenoma and of hepatocellular adenoma or carcinoma (combined) in all dosed groups and of hepatocellular carcinoma and hepatoblastoma in 80 and 160 mg/kg males were significantly increased compared to the vehicle controls.
Route of Administration:
Other
Sperm suspension was incubated with different concentrations (100–500 ug/mL) of diethanolamine to evaluate sperm parameters such as sperm motility, sperm viability and sperm morphology. diethanolamine caused significant decrease in sperm motility and sperm viability which was concentration and time–dependent.
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NCI_THESAURUS |
C29739
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C66573
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ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
