2-(2-Ethylhexyl)-1,3-propanediol

Base Information

Chemical Name:2-(2-Ethylhexyl)-1,3-propanediol
CAS No.:376395-28-7
Molecular Formula:C₁₁H₂₄O₂
Molecular Weight:188.31
Hs Code.:
European Community (EC) Number:609-459-7
DSSTox Substance ID:DTXSID801303071

Synonyms:2-(2-ethylhexyl)-1,3-propanediol;SCHEMBL182760;DTXSID801303071;AKOS018005258;376395-28-7

Suppliers and Price of 2-(2-Ethylhexyl)-1,3-propanediol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-(2-Ethylhexyl)-1,3-propanediol

Chemical Property:

Vapor Pressure:0.001mmHg at 25°C
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:188.177630004
Heavy Atom Count:13
Complexity:100

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCC(CC)CC(CO)CO

Technology Process of 2-(2-Ethylhexyl)-1,3-propanediol

There total 2 articles about 2-(2-Ethylhexyl)-1,3-propanediol 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: 70.0%

: 24306-19-2
diethyl 2-(2-ethylhexyl)malonate

: 376395-28-7
2-(2-ethylhexyl)-1,3-propanediol

Guidance literature:: With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 6h;
DOI:10.1021/jo001620l

Reference yield:

: 18908-66-2
3-bromomethylheptane

: 376395-28-7
2-(2-ethylhexyl)-1,3-propanediol

Guidance literature:: Multi-step reaction with 2 steps

1: 50 percent / NaOEt / ethanol / 6 h / 20 °C

2: 70 percent / LiAlH₄ / diethyl ether / 6 h / 20 °C

With lithium aluminium tetrahydride; sodium ethanolate; In diethyl ether; ethanol;
DOI:10.1021/jo001620l

Reference yield:

: 376395-28-7
2-(2-ethylhexyl)-1,3-propanediol

: 376395-35-6
diethyl N-benzyl-3,4-[2-(2-ethylhexyl)-1,3-propylenedioxy]pyrrole-2,5-dicarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine; 4-(dimethylamino)pyridine / CH₂Cl₂ / 3 h / 20 °C

2: 71 percent / K₂CO₃ / dimethylformamide / 12 h / 110 °C

With dmap; potassium carbonate; triethylamine; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jo001620l