2-Diethylaminoethanol

Base Information

• Chemical Name: 2-Diethylaminoethanol
• CAS No.: 100-37-8
• Deprecated CAS: 102802-00-6
• Molecular Formula: C6H15NO
• Molecular Weight: 117.191
• Hs Code.: 2922.19 Oralrat LD50: 2000 mg/kg
• European Community (EC) Number: 202-845-2
• ICSC Number: 0257
• NSC Number: 8759
• UN Number: 2686
• UNII: S6DL4M053U
• DSSTox Substance ID: DTXSID5021837
• Nikkaji Number: J4.982D
• Wikipedia: Diethylethanolamine
• Wikidata: Q209373
• NCI Thesaurus Code: C61620
• Metabolomics Workbench ID: 46318
• ChEMBL ID: CHEMBL1183
• Mol file: 100-37-8.mol

Synonyms:2-(diethylamino)ethanol;2-(dimethylamino)ethanol hydrochloride;2-(N,N-dimethylamino)ethanol hydrochloride;2-diethylaminoethanol;2-diethylaminoethanol hydrochloride;2-diethylaminoethanol hydrochloride, 14C-labeled;2-diethylaminoethanol sulfate (2:1);2-diethylaminoethanol tartrate;2-diethylaminoethanol, sodium salt;DEAE;deanol hydrochloride;diethylaminoethanol;diethylethanolamine;ethanol, 2-(dimethylamino)-, hydrochloride (1:1);ethanol, 2-dimethylamino-, hydrochloride;N,N-diethylethanolamine

Chemical Property of 2-Diethylaminoethanol

Chemical Property:

• Appearance/Colour: clear to pale yellow liquid
• Vapor Pressure: 1 mm Hg ( 20 °C)
• Melting Point: -70 °C
• Refractive Index: n20/D 1.441(lit.)
• Boiling Point: 164.8 °C at 760 mmHg
• PKA: 14.74±0.10(Predicted)
• Flash Point: 48.9 °C
• PSA: 23.47000
• Density: 0.884 g/cm³
• LogP: 0.32050
• Storage Temp.: Flammables area
• Solubility.: soluble
• Water Solubility.: soluble
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 117.115364102
• Heavy Atom Count: 8
• Complexity: 43.8
• Transport DOT Label: Corrosive Flammable Liquid

Purity/Quality:

99.5%min ^*data from raw suppliers

N,?N-?Diethylethanolamine(2-Diethylaminoethanol) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 10-20/21/22-34
• Safety Statements: 25-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Ethanolamines
• Canonical SMILES: CCN(CC)CCO
• Inhalation Risk: A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the eyes. The substance is severely irritating to the skin and respiratory tract. The substance may cause effects on the nervous system.
• Physical properties: Colorless, hygroscopic liquid with a nauseating, ammonia-like odor. Experimentally determined detection and recognition odor threshold concentrations were 50 μg/m3 (11 ppbv) and 190 μg/m3 (40 ppbv), respectively (Hellman and Small, 1974).
• Uses: Water-soluble salts; textile softeners; antirust formulations; fatty acid derivatives; pharmaceuticals; curing agent for resins; emulsifying agents in acid media; organic synthesis. Diethylethanolamine can be used as a precursor chemical to procaine. It is used as a corrosion inhibitor in steam and condensate lines by neutralizing carbonic acid and scavenging oxygen. it is used for the synthesis of drugs in the pharmaceutical industry and as a catalyst for the synthesis of polymers in the chemical industry. It is also used as a pH stabilizer.

Technology Process of 2-Diethylaminoethanol

There total 27 articles about 2-Diethylaminoethanol 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: 99.4%

oxirane (75-21-8,99932-75-9) + diethylamine (109-89-7) → 2-(Diethylamino)ethanol (100-37-8)

Guidance literature:

With 3-amino-2-propanol; at 70 ℃; for 3h; under 4500.45 Torr; Pressure; Temperature;

Reference yield: 90.0%

2-(diethylamino)ethyl crotonate (84115-05-9) → crotonic acid methyl ester (623-43-8) + 2-(Diethylamino)ethanol (100-37-8)

Guidance literature:

With methanol; toluene-4-sulfonic acid; for 4h; Heating;

Reference yield: 82.0%

methanol (67-56-1) + 2-(diethylamino)ethyl crotonate (84115-05-9) → crotonic acid methyl ester (623-43-8) + 2-(Diethylamino)ethanol (100-37-8)

Guidance literature:

With toluene-4-sulfonic acid; for 4h; Heating;

upstream raw materials:

oxirane

diethylamine

carbonic acid ethyl ester-(2-diethylamino-ethyl ester)

diethyl sulfate

Downstream raw materials:

2-[2-(diethylamino)ethoxy] ethanol

acetoacetic acid-(2-diethylamino-ethyl ester)

nicametate

phthalic acid bis-(2-diethylamino-ethyl ester)

Refernces

• 1、 Karpinchik,Mal'tsev,Sumrii. "3H2-amyxin synthesis and isolation from biological substrates". . p. 448 - 450. Retrieved 2002.
• 2、 Bronnert,D.L.E.,Saunders,B.C.. "-". . p. 160 - 163. Retrieved 1960.
• 3、 Marsella, John A.. "Homogeneously Catalyzed Synthesis of β-Amino Alcohols ans Vicinal Diamines from Ethylene Glycol and 1,2-Propanediol". . p. 467 - 468. Retrieved 1987.
• 4、 Cadogan. "-". . p. 18,20. Retrieved 1962.
• 5、 -. "A method for preparing alkyl amine". Paragraph 0102-0105. . Retrieved 2017/07/12.