11-Heneicosanol

Base Information

• Chemical Name: 11-Heneicosanol
• CAS No.: 3381-26-8
• Molecular Formula: C21H44O
• Molecular Weight: 312.58
• Hs Code.: 2905199090
• European Community (EC) Number: 222-184-3
• NSC Number: 158433
• DSSTox Substance ID: DTXSID90187470
• Nikkaji Number: J205.467A
• Wikidata: Q83059173
• Mol file: 3381-26-8.mol

Synonyms:11-Heneicosanol;Henicosan-11-ol;3381-26-8;11-Henicosanol;EINECS 222-184-3;Di-n-decyl carbinol;11-Henicosanol #;NSC158433;SCHEMBL631940;DTXSID90187470;C(CCCCCCCCC)C(O)CCCCCCCCCC;MFCD00026547;STL386381;AKOS025250458;NSC 158433;NSC-158433;CS-0327724;FT-0607217;F71783;J-019328

Chemical Property of 11-Heneicosanol

Chemical Property:

• Vapor Pressure: 5.42E-07mmHg at 25°C
• Melting Point: 71-72 °C
• Refractive Index: 1.452
• Boiling Point: 370.3 °C at 760 mmHg
• PKA: 15.23±0.20(Predicted)
• Flash Point: 131.5 °C
• PSA: 20.23000
• Density: 0.837 g/cm³
• LogP: 7.40890
• XLogP3: 9.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 18
• Exact Mass: 312.339216023
• Heavy Atom Count: 22
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

11-HENEICOSANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCC(CCCCCCCCCC)O

Technology Process of 11-Heneicosanol

There total 6 articles about 11-Heneicosanol 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: 99.0%

→ 1-decyl-1-undecanol (3381-26-8)

Guidance literature:

With magnesium; In tetrahydrofuran; at 45 ℃; for 0.5h; Inert atmosphere;

In tetrahydrofuran; at 0 - 20 ℃; for 2h;

With potassium hydroxide; In water; for 0.5h;

Reference yield: 90.0%

decyl chloride (1002-69-3) + undecylaldehyde (112-44-7) → 1-decyl-1-undecanol (3381-26-8)

Guidance literature:

With iodine; magnesium; In diethyl ether; at 25 ℃; Inert atmosphere;

DOI:10.1002/cplu.201900593

Reference yield: 46.0%

1-bromo dodecane (112-29-8) + undecylaldehyde (112-44-7) → 1-decyl-1-undecanol (3381-26-8)

Guidance literature:

With iodine; magnesium; Bunsen flame;

1-bromo dodecane; In tetrahydrofuran; at 40 ℃; for 2h;

undecylaldehyde; With water; ammonium chloride; more than 3 stages;

upstream raw materials:

heneicosan-11-one

undecylaldehyde

n-decyl magnesium bromide

1-bromo dodecane

Downstream raw materials:

heneicosan-11-one

11-heneicosanyl p-toluenesulphonate

11-bromoheneicosane

(+/-)-5-hydroxy-6-{2-[2-(4-hydroxyphenyl)-ethyl]-[1,3]dithian-2-yl}-3-oxohexanoic acid 1-decylundecyl ester

Refernces

• 1、 Chen, Yi-Ru,Zhang, Yong-Yun,Yeh, Ming-Che,Luo, Ying-Ting,Ong, Chi Wi. "Long-Range Self-Assembly of an Electron-Deficient Hexaazatrinaphthylene with Out-of-Plane Substituents". . p. 613 - 618. Retrieved 2019/12/24.
• 2、 Zhou, Erjun,Yamakawa, Shimpei,Zhang, Yue,Tajima, Keisuke,Yang, Chunhe,Hashimoto, Kazuhito. "Indolo[3,2-b]carbazole-based alternating donor-acceptor copolymers: Synthesis, properties and photovoltaic application". scheme or table. p. 7730 - 7737. Retrieved 2010/06/11.