Isododecanol

Base Information

• Chemical Name: Isododecanol
• CAS No.: 20194-45-0
• Molecular Formula: C₁₂H₂₆O
• Molecular Weight: 186.338
• European Community (EC) Number: 607-725-7
• UNII: 12TQ24JRJL
• DSSTox Substance ID: DTXSID30423844
• Nikkaji Number: J1.642.298C
• Wikidata: Q27251435
• Mol file: 20194-45-0.mol

Synonyms:Isododecanol;10-methylundecanol;isolauryl alcohol;Isododecyl alcohol;20194-45-0;10-methylundecan-1-ol;25428-98-2;Exxal 12;UNII-12TQ24JRJL;1-Undecanol, 10-methyl-;12TQ24JRJL;10-methyl-undecan-1-ol;10-Methyl-1-undecanol;Isododecanol(9ci);Isododecanol (9CI);SCHEMBL159946;DTXSID30423844;LS-158448;FT-0672360;Q27251435

Chemical Property of Isododecanol

Chemical Property:

• Melting Point: 16.85°C (estimate)
• Refractive Index: 1.4162 (estimate)
• Boiling Point: 250.85°C (estimate)
• PSA: 20.23000
• Density: 0.8429 (estimate)
• LogP: 3.75550
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 186.198365449
• Heavy Atom Count: 13
• Complexity: 89.1

Purity/Quality:

10-Methylundecanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCCCCCCO
• Uses: 10-Methylundecanol is an intermediate in the synthesis of Sulfobacin A.

Technology Process of Isododecanol

There total 25 articles about Isododecanol 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: 100.0%

undecanoic acid, 10-methyl-, methyl ester (5129-56-6) → 10-methyl-1-undecanol (20194-45-0)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2.5h;

DOI:10.1021/np010307r

Reference yield: 100.0%

8-bromooctanol (50816-19-8) + isopropyl bromide (75-26-3) → 10-methyl-1-undecanol (20194-45-0)

Guidance literature:

isopropyl bromide; In tetrahydrofuran; for 120h; Reflux;

8-bromooctanol; In tetrahydrofuran; at -78 ℃; for 0.25h;

With dilithium tetrachlorocuprate(II); In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1039/c9ob00990f

Reference yield: 98.0%

10-methyl-1-tetrahydro-2H-pyran-2-yloxyundecane (124388-94-9) → 10-methyl-1-undecanol (20194-45-0)

Guidance literature:

With pyridinium p-toluenesulfonate; In ethanol; at 60 ℃; for 8h;

DOI:10.1016/0022-1139(95)03268-I

upstream raw materials:

isolauric acid

10-methyl-1-tetrahydro-2H-pyran-2-yloxyundecane

10-Methyl-undec-9-en-1-ol

2-(8-bromooctyloxy)tetrahydropyran

Downstream raw materials:

10-methylundecan-1-al

1-bromo-10-methylundecane

isolauric acid

10-methylundec-1-ene