Diethanolamine

Base Information

• Chemical Name: Diethanolamine
• CAS No.: 111-42-2
• Deprecated CAS: 8033-73-6,1357848-47-5,2122854-14-0,165126-26-1
• Molecular Formula: C4H11NO2
• Molecular Weight: 105.137
• Hs Code.: 29221200
• European Community (EC) Number: 203-868-0
• ICSC Number: 0618
• NSC Number: 4959
• UN Number: 3082,1760
• UNII: AZE05TDV2V
• DSSTox Substance ID: DTXSID3021932
• Nikkaji Number: J808G
• Wikipedia: Diethanolamine
• Wikidata: Q418437
• NCI Thesaurus Code: C76748
• RXCUI: 1362911
• Metabolomics Workbench ID: 38524
• ChEMBL ID: CHEMBL119604
• Mol file: 111-42-2.mol

Synonyms:diethanolamine;diethanolamine acetate;diethanolamine bisulfate;diethanolamine fumarate;diethanolamine hydrochloride;diethanolamine maleate;diethanolamine maleate (1:1);diethanolamine phosphate;diethanolamine sulfate (1:1);diethanolamine sulfate (2:1);diethanolamine sulfite;diethanolamine sulfite (1:1);diethanolammonium sulfate

Chemical Property of Diethanolamine

Chemical Property:

• Appearance/Colour: solid or viscous liquid
• Vapor Pressure: <0.98 atm ( 100 °C)
• Melting Point: 28 °C(lit.)
• Refractive Index: n20/D 1.477(lit.)
• Boiling Point: 268.389 °C at 760 mmHg
• PKA: 8.88(at 25℃)
• Flash Point: 137.778 °C
• PSA: 52.49000
• Density: 1.096 g/cm³
• LogP: -1.04850
• Storage Temp.: Store at RT
• Sensitive.: Hygroscopic
• Solubility.: H2O: 1 M at 20 °C, clear, colorless
• Water Solubility.: MISCIBLE
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 105.078978594
• Heavy Atom Count: 7
• Complexity: 28.9
• Transport DOT Label: Class 9

Purity/Quality:

99% ^*data from raw suppliers

Diethanolamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-38-41-48/22
• Safety Statements: 26-36/37/39-46

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Ethanolamines
• Canonical SMILES: C(CO)NCCO
• Inhalation Risk: A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the eyes.
• Effects of Long Term Exposure: Repeated or prolonged contact may cause skin sensitization. The substance may have effects on the liver and kidneys.
• Description: Diethanolamine is an organic base which has been used as an emulsifying and dispersing agent.It can also be used as a basic buffer, with optimal pH about pH 9, if titrated with HCl or other acid. Other uses include: to "scrub" gases, as a chemical intermediate, as humectant or softening agent.
• Uses: Diethanolamine similar to triethanolamine (T775580) is used as a surfactant. It also has the potential to be a corrosion inhibitor by means of chemisorption. To scrub gases as indicated under ethanolamine. Diethanolamine can be used with cracking gases and coal or oil gases which contain carbonyl sulfide that would react with monoethanolamine. As rubber chemicals intermediate. In the manufacture of surface active agents used in textile specialties, herbicides, petroleum demulsifiers. As emulsifier and dispersing agent in various agricultural chemicals, cosmetics, and pharmaceuticals. In the production of lubricants for the textile industry. As humectant and softening agent. In organic syntheses. Diethanolamine is used in the production ofsurface-active agents and lubricants for thetextile industry; as an intermediate for rubberchemicals; as an emulsifier; as a humectantand softening agent; as a detergent in paints,shampoos, and other cleaners; and as anintermediate in resins and plasticizers.

Technology Process of Diethanolamine

There total 61 articles about Diethanolamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.1%

oxirane (75-21-8,99932-75-9) + ethanolamine (141-43-5) → triethanolamine (102-71-6,64114-46-1) + 2,2'-iminobis[ethanol] (111-42-2)

Guidance literature:

With ammonia; ZSM-5 type zeolite ion exchange with lanthanum; at 45 ℃; under 75007.5 Torr; Industry scale; Adiabatic conditions;

Reference yield: 81.0%

C9H19NO2 (1586805-11-9) → 2-pentanol (584-02-1) + 1-(2-hydroxyethyl)-2-ethyl-3-methylpyrrole + 2,2'-iminobis[ethanol] (111-42-2)

Guidance literature:

With potassium hydroxide; Reflux;

DOI:10.1134/S1070428014020134

Reference yield: 76.0%

2,2-hexamethylene-3-(2-hydroxyethyl)oxazolidine (91322-91-7) → cycloheptanol (502-41-0) + 1-(2-hydroxyethyl)-5,6,7,8-tetrahydrocyclohepta(b)pyrrole (91322-87-1) + 2,2'-iminobis[ethanol] (111-42-2)

Guidance literature:

With potassium hydroxide; Reflux;

DOI:10.1134/S1070428014020134

upstream raw materials:

oxirane

pyridine

triethanolamine

dibenzoyl peroxide

Downstream raw materials:

4-nitro-benzoic acid-{bis-[2-(4-nitro-benzoyloxy)-ethyl]-amide}

2-amino-1-phenylethanol

2,2',2'',2''',2'''',2'''''-((1,3,5-triazine-2,4,6-triyl)tris(azanetriyl))hexaethanol

2,4-bis(N,N-dihydroxyethylamino)-6-chloro-1,3,5-s-triazine

Refernces

• 1、 Liu,Nag,Shaw. "Lipase-catalyzed synthesis of fatty acid diethanolamides.". . p. 5761 - 5764. Retrieved 2001.
• 2、 Mostafalu, Ramin,Banaei, Abbas,Riazi, Mohammad Hadi,Ghorbani, Fatemeh. "A Modified Method for the Determination of N-Nitrosodiethanolamine in Coconut Diethanolamide Using HPLC with Dual-Wavelength UV-Vis Detector". . p. 431 - 435. Retrieved 2016.
• 3、 -. "PROCESS FOR PRODUCING ALKANOLAMINE". Paragraph 0046-0053. . Retrieved 2019/02/19.
• 4、 -. "METHOD FOR PRODUCING CIS- AND TRANS-ENRICHED MDACH". . . Retrieved 2017/09/23.