(S)-2-Undecanol

Base Information

• Chemical Name: (S)-2-Undecanol
• CAS No.: 85617-05-6
• Molecular Formula: C11H24O
• Molecular Weight: 172.30800
• UNII: 1BKP98A66O
• DSSTox Substance ID: DTXSID10234854
• Metabolomics Workbench ID: 3370
• Nikkaji Number: J76.623B
• Wikidata: Q27252200
• Mol file: 85617-05-6.mol

Synonyms:(S)-2-Undecanol;2-Undecanol, (S)-;85617-05-6;(2S)-UNDECAN-2-OL;2-Undecanol, (+)-;2-Undecanol, (2S)-;UNII-1BKP98A66O;Undecan-2S-ol;1BKP98A66O;FEMA No. 3246, (+)-;(+)-2-Undecanol;SCHEMBL4449373;DTXSID10234854;LMFA05000512;AKOS006272405;Q27252200

Chemical Property of (S)-2-Undecanol

Chemical Property:

• Boiling Point: 228.0±3.0 °C(Predicted)
• PKA: 15.28±0.20(Predicted)
• PSA: 20.23000
• Density: 0.828±0.06 g/cm3(Predicted)
• LogP: 3.50790
• 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

(S)-2-UNDECANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(C)O
• Isomeric SMILES: CCCCCCCCC[C@H](C)O

Technology Process of (S)-2-Undecanol

There total 13 articles about (S)-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: 84.0%

methyl nonyl ketone (112-12-9) → (S)-undecan-2-ol (85617-05-6,113666-64-1)

Guidance literature:

With 4-morpholineethanesulfonic acid; Cyclopentanol; alcohol dehydrogenase from Geotrichum candidum (APG₄); NAD; at 30 ℃; for 20h; pH=7.0;

DOI:10.1016/0040-4039(96)01211-7

Reference yield: 79.0%

→ (S)-undecan-2-ol (85617-05-6,113666-64-1)

Guidance literature:

Reference yield: 70.0%

octylmagnesium bromide (17049-49-9) + (S)-Propylene oxide (16088-62-3) → (S)-undecan-2-ol (85617-05-6,113666-64-1)

Guidance literature:

With copper(l) iodide; In tetrahydrofuran; at -20 ℃; for 2h;

DOI:10.1021/jo9812779

upstream raw materials:

undecan-2-ol

methyl nonyl ketone

octylmagnesium bromide

(S)-Propylene oxide