1,2-Octadecanediol

Base Information

• Chemical Name: 1,2-Octadecanediol
• CAS No.: 20294-76-2
• Molecular Formula: C18H38O2
• Molecular Weight: 286.499
• Hs Code.: 2905399090
• European Community (EC) Number: 243-711-3
• NSC Number: 71534
• UNII: 9J9GD77RJI
• DSSTox Substance ID: DTXSID101021743
• Nikkaji Number: J108.084I
• Wikidata: Q27158218
• Mol file: 20294-76-2.mol

Synonyms:O-hexadecylethanediol

Chemical Property of 1,2-Octadecanediol

Chemical Property:

• Vapor Pressure: 3.09E-07mmHg at 25°C
• Melting Point: 81℃ (ethanol )
• Refractive Index: 1.4788 (estimate)
• Boiling Point: 377.2°Cat760mmHg
• Flash Point: 157.6°C
• PSA: 40.46000
• Density: 0.892g/cm³
• LogP: 5.21100
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 286.287180451
• Heavy Atom Count: 20
• Complexity: 171

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCC(CO)O

Technology Process of 1,2-Octadecanediol

There total 11 articles about 1,2-Octadecanediol 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: 90.0%

2-hexadecyloxirane (7390-81-0) → rac-1,2-dihydroxyoctadecane (20294-76-2)

Guidance literature:

With water; In 1,4-dioxane; for 24h; Reflux;

DOI:10.1007/s11426-011-4323-x

Reference yield:

octadec-1-ene (112-88-9) → rac-1,2-dihydroxyoctadecane (20294-76-2) + heptadecanoic acid (506-12-7)

Guidance literature:

in alkalischem, neutralem und saurem Milieu;

Reference yield:

octadec-1-ene (112-88-9) → rac-1,2-dihydroxyoctadecane (20294-76-2)

Guidance literature:

With formic acid; dihydrogen peroxide; at 40 ℃; Verseifen des so entstandenen Ester;

upstream raw materials:

formic acid

octadec-1-ene

2-hexadecyloxirane

dihydrogen peroxide

Downstream raw materials:

1-O-(triphenylmethyl)-1,2-octadecanediol

1-O-(2,3,4,6-tetra-O-benzyl-α-D-galactopyranosyl)-2-(N-tetracosanoylamino)octadecanol

2-azido-1-O-(2,3,4,6-tetra-O-benzyl-α-D-galactopyranosyl)octadecanol

1-((2S,3R,4S,5S,6R)-3,4,5-Tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxymethyl)-heptadecylamine