1,3-Decanediol

Base Information

• Chemical Name: 1,3-Decanediol
• CAS No.: 6071-27-8
• Molecular Formula: C10H22O2
• Molecular Weight: 174.283
• DSSTox Substance ID: DTXSID80976153
• Nikkaji Number: J2.105.680D
• Mol file: 6071-27-8.mol

Synonyms:1,3-Decanediol;decane-1,3-diol;BRN 1848272;6071-27-8;SCHEMBL455543;DTXSID80976153;LS-59321

Chemical Property of 1,3-Decanediol

Chemical Property:

• Vapor Pressure: 0.000333mmHg at 25°C
• Boiling Point: 284.9°Cat760mmHg
• Flash Point: 129°C
• Density: 0.922g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 174.161979940
• Heavy Atom Count: 12
• Complexity: 83.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCC(CCO)O

Technology Process of 1,3-Decanediol

There total 9 articles about 1,3-Decanediol 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: 76.0%

2,3-epoxy-1-decanol (85531-69-7) → 1,3-decane diol (6071-27-8)

Guidance literature:

With collidine hydrochloride; crithmene; zinc; Kagan's complex; In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.1055/s-2004-831207

Reference yield: 28.0%

1-Decanol (112-30-1) → decane-1,4-diol (37810-94-9) + decan-1,5-diol (4203-48-9) + decane-1,9-diol (3208-05-7,128705-94-2,4470-02-4) + 1,3-decane diol (6071-27-8) + 1,7-decane diol (13175-33-2) + 1,8-decane diol + decane-1,6-diol (4066-80-2)

Guidance literature:

With glucose dehydrogenase from Bacillus megaterium; cytochrome P₄₅₀ monooxygenase CYP₅₀₅E₃ from Aspergillus terreus; nicotinamide adenine dinucleotide; In aq. phosphate buffer; at 25 ℃; for 24h; regioselective reaction; Catalytic behavior; Enzymatic reaction;

DOI:10.1002/anie.202001055

Reference yield:

2,3-epoxy-1-decanol (85531-69-7) → 1,2-decanediol (1119-86-4) + 1,3-decane diol (6071-27-8)

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminium dihydride; In dichloromethane; at 0 ℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Var_. solvent, reagent and temp.;

DOI:10.1016/S0040-4039(00)85648-8

upstream raw materials:

ethyl (R/S)-3-hydroxy-decanoate

2,3-epoxy-1-decanol

1-acetoxy-3-decanone

1-chloro-3-decanone

Downstream raw materials:

2-[4-((E)-7-Ethoxy-3,7-dimethyl-oct-2-enyloxy)-phenyl]-2-ethyl-4-heptyl-[1,3]dioxane

Refernces

• 1、 -. "Extracts of Isochrysis sp.". . . Retrieved 2010/04/25.
• 2、 -. "EXTRACTS OF TETRASELMIS SP.". . . Retrieved 2010/06/19.