2-Undecanol

Base Information

• Chemical Name: 2-Undecanol
• CAS No.: 1653-30-1
• Deprecated CAS: 113666-64-1
• Molecular Formula: C11H24O
• Molecular Weight: 172.311
• Hs Code.: 29051990
• European Community (EC) Number: 216-722-6
• UNII: 49PCZ1S7LY
• DSSTox Substance ID: DTXSID2058673
• Nikkaji Number: J102.385C
• Wikidata: Q27147537
• Metabolomics Workbench ID: 75596
• ChEMBL ID: CHEMBL4633278
• Mol file: 1653-30-1.mol

Synonyms:2-undecanol;undecan-2-ol

Chemical Property of 2-Undecanol

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.0147mmHg at 25°C
• Melting Point: 2-3 °C
• Refractive Index: n20/D 1.437(lit.)
• Boiling Point: 228 °C at 760 mmHg
• PKA: 15.28±0.20(Predicted)
• Flash Point: 92.4 °C
• PSA: 20.23000
• Density: 0.828 g/cm³
• LogP: 3.50790
• Storage Temp.: Store below +30°C.
• Water Solubility.: Not miscible or difficult to mix in water. Soluble in alcohol and ethyl ether.
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 172.182715385
• Heavy Atom Count: 12
• Complexity: 81.1

Purity/Quality:

99% ^*data from raw suppliers

2-Undecanol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 36/37/38-51/53
• Safety Statements: 26-36-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCCCCCCCCC(C)O
• Uses: 2-Undecanol is a useful chemical reagent. It is reported that 2-Undecanol can be converted into aldehyde or ketone under mild conditions in the presence of a copper-based catalyst.

Technology Process of 2-Undecanol

There total 27 articles about 2-Undecanol 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%

(+/-)-undec-10-en-2-ol (91523-75-0) → undecan-2-ol (1653-30-1,113666-64-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate;

Reference yield: 99.0%

methyl nonyl ketone (112-12-9) → undecan-2-ol (1653-30-1,113666-64-1)

Guidance literature:

With 1-Phenylethanol; 4 A molecular sieve; trimethylaluminum; 2,7-dimethyl-1,8-biphenylenediol; In hexane; dichloromethane; 2.) r.t., 5 h;

DOI:10.1002/(SICI)1521-3773(19980918)37:17<2347::AID-ANIE2347>3.0.CO;2-U

Reference yield: 93.0%

2-(1-Methyl-decyloxy)-tetrahydro-pyran (112150-40-0) → undecan-2-ol (1653-30-1,113666-64-1)

Guidance literature:

With magnesium bromide; In diethyl ether; for 2h; Ambient temperature;

DOI:10.1016/S0040-4039(00)95749-6

upstream raw materials:

caprinaldehyde

methylmagnesium bromide

methyl nonyl ketone

5,10-undecadien-2-one

Downstream raw materials:

diundecyl ether

2-undecene

2-bromo-n-undecane

methyl nonyl ketone

Refernces

• 1、 Wei, Duo,Bruneau-Voisine, Antoine,Chauvin, Téo,Dorcet, Vincent,Roisnel, Thierry,Valyaev, Dmitry A.,Lugan, No?l,Sortais, Jean-Baptiste. "Hydrogenation of Carbonyl Derivatives Catalysed by Manganese Complexes Bearing Bidentate Pyridinyl-Phosphine Ligands". supporting information. p. 676 - 681. Retrieved 2017/12/26.
• 2、 Wei, Duo,Roisnel, Thierry,Darcel, Christophe,Clot, Eric,Sortais, Jean-Baptiste. "Hydrogenation of Carbonyl Derivatives with a Well-Defined Rhenium Precatalyst". . p. 80 - 83. Retrieved 2017/01/17.