5-Dodecanol

Base Information

• Chemical Name: 5-Dodecanol
• CAS No.: 10203-33-5
• Molecular Formula: C12H26 O
• Molecular Weight: 186.338
• Hs Code.: 2905199090
• European Community (EC) Number: 233-503-0
• NSC Number: 158520
• DSSTox Substance ID: DTXSID901030176
• Nikkaji Number: J112.114F
• Mol file: 10203-33-5.mol

Synonyms:5-DODECANOL;Dodecan-5-ol;10203-33-5;EINECS 233-503-0;AI3-35262;NSC158520;C(O)(CCCC)CCCCCCC;SCHEMBL258642;DTXSID901030176;AKOS006281271;NSC 158520;NSC-158520;FT-0636655

Chemical Property of 5-Dodecanol

Chemical Property:

• Vapor Pressure: 0.00476mmHg at 25°C
• Melting Point: 16.85°C (estimate)
• Refractive Index: 1.4162 (estimate)
• Boiling Point: 245.5°Cat760mmHg
• PKA: 15.33±0.20(Predicted)
• Flash Point: 100.1°C
• PSA: 20.23000
• Density: 0.829g/cm³
• LogP: 3.89800
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 186.198365449
• Heavy Atom Count: 13
• Complexity: 91.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Dodecanol 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(CCCC)O

Technology Process of 5-Dodecanol

There total 14 articles about 5-Dodecanol 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: 93.0%

5-Methoxymethoxy-dodecane (87770-92-1) → 5-dodecanol (10203-33-5)

Guidance literature:

With dimethylboron bromide; In dichloromethane; 1,2-dichloro-ethane; at -78 ℃; for 1h;

DOI:10.1016/S0040-4039(00)88238-6

Reference yield: 88.0%

Octanal (124-13-0) + tetra-n-butyl lead (1920-90-7) → 5-dodecanol (10203-33-5)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at -78 - 0 ℃;

DOI:10.1016/0040-4020(92)80009-5 DOI:10.1021/ja00248a045

Reference yield: 26.0%

5-Methoxy-dodecane (87378-17-4) → 5-dodecanol (10203-33-5) + 5-Bromododecane

Guidance literature:

With dimethylboron bromide; triethylamine; In 1,2-dichloro-ethane; at 0 - 25 ℃; for 5h;

DOI:10.1016/S0040-4039(00)88071-5

upstream raw materials:

dodecan-5-one

Octanal

n-butylmagnesium iodide

pentanal

Downstream raw materials:

dodecan-5-one

5-Chlor-dodecan

Refernces

• 1、 Takahashi, Tamotsu,Suzuki, Noriyuki,Hasegawa, Maki,Nitto, Yu,Aoyagi, Ko-ichiro,Saburi, Masahiko. "Zirconium Mediated Regioselective Carbon-Carbon Bond Formation Reactions". . p. 331 - 334. Retrieved 1992.
• 2、 Demailly,Ousset,Mioskowski. "Fragmentation of 4,7-dihydro-1,3-dioxepins by butyllithium. Dienolate generation in situ". . p. 4647 - 4650. Retrieved 1984.
• 3、 Maseme, Mpeyake Jacob,Opperman, Diederik Johannes,Pennec, Alizé,Smit, Martha Sophia,van Marwijk, Jacqueline. "CYP505E3: A Novel Self-Sufficient ω-7 In-Chain Hydroxylase". supporting information. p. 10359 - 10362. Retrieved 2020/04/23.