1,2-Propanediol, 3-isopentyloxy-

Base Information

• Chemical Name: 1,2-Propanediol, 3-isopentyloxy-
• CAS No.: 627-92-9
• Molecular Formula: C8H18O3
• Molecular Weight: 162.229
• Hs Code.: 2909499000
• NSC Number: 26599
• DSSTox Substance ID: DTXSID00875775
• Nikkaji Number: J6.873J
• Mol file: 627-92-9.mol

Synonyms:627-92-9;1-Isoamyl glycerol ether;1,2-Propanediol, 3-isopentyloxy-;1,2-Propanediol, 3-(3-methylbutoxy)-;NSC 26599;BRN 1699132;3-(3-methylbutoxy)propane-1,2-diol;3-(isopentyloxy)propane-1,2-diol;NSC26599;1, 3-isopentyloxy-;Glycerol1-isopentyl ether;monoisoamyl glyceryl ether;1, 3-(3-methylbutoxy)-;SCHEMBL116747;WLN: Q1YQ1O2Y1&1;3-isopentyloxy-propane-1,2-diol;DTXSID00875775;NSC-26599;LS-120531

Chemical Property of 1,2-Propanediol, 3-isopentyloxy-

Chemical Property:

• Vapor Pressure: 0.000521mmHg at 25°C
• Refractive Index: 1.4080 (estimate)
• Boiling Point: 278.4°Cat760mmHg
• PKA: 13.68±0.20(Predicted)
• Flash Point: 122.2°C
• PSA: 49.69000
• Density: 0.997g/cm³
• LogP: 0.40230
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 162.125594432
• Heavy Atom Count: 11
• Complexity: 83.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCOCC(CO)O

Technology Process of 1,2-Propanediol, 3-isopentyloxy-

There total 2 articles about 1,2-Propanediol, 3-isopentyloxy- 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:

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + isovaleraldehyde (590-86-3) → 3-(isopentyloxy)propane-1,2-diol (627-92-9) + i-Amyl alcohol (123-51-3) + O1,O3-diisopentyl-glycerol (626-78-8) + 2-(3-methylbutoxy)-1,3-propanediol (187728-40-1) + 2,3-di-isopentoxy-1-propanol (69805-56-7)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; at 200 ℃; for 4h; under 51716.2 Torr; Inert atmosphere;

Reference yield:

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + isovaleraldehyde (590-86-3) → 3-(isopentyloxy)propane-1,2-diol (627-92-9) + i-Amyl alcohol (123-51-3) + 2-isopentoxy-1,2-propanediol

Guidance literature:

With palladium 10% on activated carbon; hydrogen; at 200 ℃; for 4h; under 51755.2 Torr;

upstream raw materials:

glycerol

isovaleraldehyde

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