Diethylenetriamine

Base Information

• Chemical Name: Diethylenetriamine
• CAS No.: 111-40-0
• Deprecated CAS: 26915-78-6,53303-76-7,54018-92-7,59135-90-9,8076-55-9,94700-17-1,98824-35-2,73989-30-7,419553-44-9,859039-00-2,1078151-43-5,203009-17-0,1801663-13-7,1380230-30-7,1078151-43-5,1801663-13-7,203009-17-0,419553-44-9,53303-76-7,54018-92-7,59135-90-9,73989-30-7,8076-55-9,859039-00-2,94700-17-1,98824-35-2
• Molecular Formula: C4H13N3
• Molecular Weight: 103.167
• Hs Code.: 29212900
• European Community (EC) Number: 203-865-4
• ICSC Number: 0620
• NSC Number: 446
• UN Number: 2079
• UNII: 03K6SX4V2J
• DSSTox Substance ID: DTXSID2025050
• Nikkaji Number: J5.108J
• Wikipedia: Diethylenetriamine
• Wikidata: Q416728
• Metabolomics Workbench ID: 44863
• ChEMBL ID: CHEMBL303429
• Mol file: 111-40-0.mol

Synonyms:diethylene triamine;diethylenetriamine;diethylenetriamine diacetate;diethylenetriamine hydrochloride;diethylenetriamine monohydrochloride;diethylenetriamine trihydrofluoride

Chemical Property of Diethylenetriamine

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.08 mm Hg ( 20 °C)
• Melting Point: -40 °C
• Refractive Index: 1.4826
• Boiling Point: 206.899 °C at 760 mmHg
• PKA: pK1:4.42(+3);pK2:9.21(+2);pK3:10.02(+1) (25°C)
• Flash Point: 94.444 °C
• PSA: 64.07000
• Density: 0.951 g/cm³
• LogP: 0.28490
• Storage Temp.: Store below +30°C.
• Sensitive.: Air Sensitive
• Water Solubility.: miscible
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 103.110947427
• Heavy Atom Count: 7
• Complexity: 26.1
• Transport DOT Label: Corrosive

Purity/Quality:

99.9% ^*data from raw suppliers

Diethylenetriamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,T+
• Statements: 21/22-34-43-37-26
• Safety Statements: 26-36/37/39-45-28

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: C(CNCCN)N
• 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, skin and respiratory tract. Corrosive on ingestion. Inhalation of the vapour may cause lung oedema. The effects may be delayed. Medical observation is indicated.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis. Repeated or prolonged contact may cause skin sensitization. Repeated or prolonged inhalation may cause asthma.
• Description: Diethylenetriamine is a hardener in epoxy resins of the Bisphenol A type. It has been reported as a sensitizer in ultrasonic baths for cleaning jewels, in synthetic lubricants and in carbonless copy paper.
• Uses: Diethylenetriamine is manufactured by reacting ethylene dichloride and ammonia. It is used as a solvent, in organic syntheses, and in a variety of industrial applications including use as a fuel component. Diethylenetriamine is a solvent for sulfur, acidic gas, resin and dye intermediates for organic synthesis; saponification agent for acidic materials; fuel component; hardener for epoxy resins. Hardener and stabilizer for epoxy resins; solvent for dyes, acid gases, and sulfur

Technology Process of Diethylenetriamine

There total 62 articles about Diethylenetriamine 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: 49.5%

ethylene glycol (107-21-1) → piperazine (110-85-0) + ethanolamine (141-43-5) + 2-(2-Aminoethylamino)ethanol (111-41-1) + ethylenediamine (107-15-3,85404-18-8) + 3-azapentane-1,5-diamine (111-40-0,98824-35-2) + 2,2'-iminobis[ethanol] (111-42-2)

Guidance literature:

ethylene glycol; With ammonia; hydrogen; at 150 ℃; under 150015 Torr;

copper oxide; graphite; molybdenum oxide; nickel oxide; zirconium dioxide; mixture of; at 170 ℃; under 150015 Torr;

Reference yield:

ethylenediamine (107-15-3,85404-18-8) + Trimethylenediamine (109-76-2,54018-94-9) → piperazine (110-85-0) + 1,4-Diazacycloheptane (505-66-8) + N-(2-Aminoethyl)-1,3-propanediamine (13531-52-7) + 3-azapentane-1,5-diamine (111-40-0,98824-35-2)

Guidance literature:

With hydrogen; Ni and Re on Al₂O₃/SiO₂; at 150 - 155 ℃; for 6h; under 7379.72 Torr; Autoclave;

Reference yield:

dimethylenecyclourethane (497-25-6) + imidazolidone (120-93-4) + ethylenediamine (107-15-3,85404-18-8) → 2-oxo-imidazolidine-1-ethanol (3699-54-5) + 2-aminoethylimidazolidone (6281-42-1) + 2-(2-Aminoethylamino)ethanol (111-41-1) + 3-azapentane-1,5-diamine (111-40-0,98824-35-2) + triethylentetramine (112-24-3)

Guidance literature:

at 260 ℃; for 3h;

upstream raw materials:

ethyleneimine

ethylenediamine

bis(phthalimidylethyl)amine

sulfuric acid mono-(2-amino-ethyl ester)

Downstream raw materials:

2-[2-(2-aminoethylamino)ethylamino]ethanol

piperazine

1,1'-(3-aza-pentanediyl)-bis-pyrrolidin-2-one

2-[2-(2-amino-ethylamino)-ethylamino]-1-phenyl-ethanol

Refernces

• 1、 Wee, Sheena,White, Jonathan M.,McFadyen, W. David,O'Hair, Richard A.J.. "Gas-phase studies on the reactivity of the azido(diethylenetriamine)platinum(II) cation and derived species". . p. 1201 - 1207. Retrieved 2003.
• 2、 Ma, Lei,Yan, Li,Lu, An-Hui,Ding, Yunjie. "Effects of Ni particle size on amination of monoethanolamine over Ni-Re/SiO2 catalysts". . p. 567 - 579. Retrieved 2019/04/03.
• 3、 -. "PROCESS FOR CONVERTING CYCLIC ALKYLENE UREAS INTO THEIR CORRESPONDING ALKYLENE AMINES". Page/Page column 21. . Retrieved 2019/02/25.