2-Ethylhexyloxypropylamine

Base Information

• Chemical Name: 2-Ethylhexyloxypropylamine
• CAS No.: 5397-31-9
• Deprecated CAS: 155634-20-1,29714-54-3,76461-78-4,29714-54-3
• Molecular Formula: C11H25NO
• Molecular Weight: 187.326
• Hs Code.: 2922199090
• European Community (EC) Number: 226-420-6
• NSC Number: 1078
• UN Number: 2810
• UNII: N09409V116
• DSSTox Substance ID: DTXSID1025304
• Nikkaji Number: J35.195D
• Wikidata: Q22829877
• Metabolomics Workbench ID: 123328
• ChEMBL ID: CHEMBL1331832
• Mol file: 5397-31-9.mol

Synonyms:Propylamine,3-[(2-ethylhexyl)oxy]- (6CI,7CI,8CI);2-Ethylhexyl 3-aminopropyl ether;3-(2-Ethylhexoxy)propylamine;3-(2-Ethylhexyloxy)-1-propanamine;3-(2-Ethylhexyloxy)propylamine;3-Aminopropyl 2-ethylhexyl ether;NSC 1078;PA12EH;

Chemical Property of 2-Ethylhexyloxypropylamine

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 0.063mmHg at 25°C
• Refractive Index: n20/D 1.438(lit.)
• Boiling Point: 262.4 °C at 760 mmHg
• PKA: 9.76±0.10(Predicted)
• Flash Point: 96.1 °C
• PSA: 35.25000
• Density: 0.849 g/cm³
• LogP: 3.26850
• Storage Temp.: Store below +30°C.
• Solubility.: 15g/l
• Water Solubility.: 0.1-0.5 g/100 mL at 20.5 ºC
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 187.193614421
• Heavy Atom Count: 13
• Complexity: 96.1
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

3-(2-Ethylhexyloxy)propylamine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 22-24-34-52
• Safety Statements: 26-27-36-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCC(CC)COCCCN

Technology Process of 2-Ethylhexyloxypropylamine

There total 2 articles about 2-Ethylhexyloxypropylamine 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:

3-(2-ethyl-hexyloxy)-propionitrile (10213-75-9) → 3-(2-ethylhexoxy)propylamine (5397-31-9)

Guidance literature:

With ammonia; nickel; at 60 - 100 ℃; under 51485.6 Torr; Hydrogenation;

Reference yield:

→ 3-(2-ethylhexoxy)propylamine (5397-31-9)

Guidance literature:

/BRN= 1732287/;

DOI:10.1021/ja01225a030

Reference yield: 98.0%

3-(2-ethylhexoxy)propylamine (5397-31-9) + triphenylsulfonium trifluoromethanesulfonate (66003-78-9,130595-32-3,220122-79-2) → N-(3-((2-ethylhexyl)oxy)propyl)-N-phenylaniline

Guidance literature:

With potassium tert-butylate; In toluene; at 80 ℃; for 24h; Inert atmosphere; Sealed tube; Glovebox;

DOI:10.1002/chem.201802269

upstream raw materials:

3-(2-ethyl-hexyloxy)-propionitrile

Downstream raw materials:

Cyclohex-1-ene-1,2-dicarboxylic acid 1-[(4-chloro-2-fluoro-phenyl)-amide] 2-{[3-(2-ethyl-hexyloxy)-propyl]-amide}

3-(2-ethyl-hexyloxy)-propionitrile