1,2-Propanediol, 3-(octyloxy)-

Base Information

• Chemical Name: 1,2-Propanediol, 3-(octyloxy)-
• CAS No.: 10438-94-5
• Molecular Formula: C11H24 O3
• Molecular Weight: 204.30646
• Hs Code.: 2909499000
• European Community (EC) Number: 837-816-9
• NSC Number: 625447
• UNII: MI97BW74XZ
• DSSTox Substance ID: DTXSID50874273
• Nikkaji Number: J116.269A
• Wikidata: Q27284049
• RXCUI: 2382431
• ChEMBL ID: CHEMBL1974894
• Mol file: 10438-94-5.mol

Synonyms:1-glyceryloctyl ether;octyl-sepharose;octyl-sepharose CL-4B;octylagarose CL-4B;octylsepharose CL-4B

Chemical Property of 1,2-Propanediol, 3-(octyloxy)-

Chemical Property:

• Vapor Pressure: 0.01-0.019Pa at 20-25℃
• Boiling Point: 331.8°Cat760mmHg
• Flash Point: 154.5°C
• PSA: 49.69000
• Density: 0.964g/cm³
• LogP: 1.71670
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 204.17254462
• Heavy Atom Count: 14
• Complexity: 107

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Uses -> Chromatography
• Canonical SMILES: CCCCCCCCOCC(CO)O

Technology Process of 1,2-Propanediol, 3-(octyloxy)-

There total 22 articles about 1,2-Propanediol, 3-(octyloxy)- 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: 84.0%

2,2-dimethyl-4-((octyloxy)methyl)-1,3-dioxolane (115268-46-7) → 3-octyloxy-1,2-propanediol (10438-94-5)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; at 80 ℃; for 6h;

DOI:10.1002/ejoc.202000540

Reference yield: 58.0%

monocaprylin (19670-49-6,502-54-5) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 3-octyloxy-1,2-propanediol (10438-94-5) + 2-O-pentylglycerol monoether (100078-37-3)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; at 120 ℃; for 16h; under 37503.8 Torr; regioselective reaction; Autoclave;

DOI:10.1039/c3gc36907b

Reference yield: 57.0%

Octanoic acid (124-07-2) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 3-octyloxy-1,2-propanediol (10438-94-5) + 2-(octyloxy)propane-1,3-diol (35396-30-6)

Guidance literature:

With palladium on activated charcoal; hydrogen; at 120 ℃; for 16h; under 37503.8 Torr; Autoclave; Inert atmosphere;

DOI:10.1002/cssc.201200447

upstream raw materials:

sodium octanolate

3-monochloro-1,2-propanediol

3-oct-1-en-t-yloxy-propane-1,2-diol

octanol