5-Decanol

Base Information

• Chemical Name: 5-Decanol
• CAS No.: 5205-34-5
• Molecular Formula: C10H22 O
• Molecular Weight: 158.284
• Hs Code.: 2905199090
• European Community (EC) Number: 225-999-2
• NSC Number: 244888
• UNII: GUU86H79T8
• DSSTox Substance ID: DTXSID201318612
• Nikkaji Number: J112.107C
• Mol file: 5205-34-5.mol

Synonyms:5-Decanol;Decan-5-ol;5205-34-5;Amylbutylcarbinol;5-Decyl Alcohol;Butylpentylcarbinol;AI3-19950;GUU86H79T8;EINECS 225-999-2;NSC-244888;NSC244888;C(CCCC)C(O)CCCC;UNII-GUU86H79T8;SCHEMBL378684;DTXSID201318612;MFCD00039626;AKOS009158086;NSC 244888;SB83884;CS-0327095;D1381;FT-0620357;T70997

Chemical Property of 5-Decanol

Chemical Property:

• Vapor Pressure: 0.0365mmHg at 25°C
• Melting Point: 9 °C
• Refractive Index: 1.4320-1.4340
• Boiling Point: 80 °C / 5mmHg
• PKA: 15.44±0.20(Predicted)
• Flash Point: 87.1°C
• PSA: 20.23000
• Density: 0.826g/cm³
• LogP: 3.11780
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 158.167065321
• Heavy Atom Count: 11
• Complexity: 71.3

Purity/Quality:

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

5-Decanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCCCCC(CCCC)O

Technology Process of 5-Decanol

There total 35 articles about 5-Decanol 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: 85.0%

2-(1-Butyl-hexyloxy)-tetrahydro-pyran → decan-5-ol (5205-34-5)

Guidance literature:

With ammonium chloride; In methanol; for 60h; Heating;

DOI:10.1080/00397919808006838

Reference yield: 82.0%

1,2-Epoxyhexane (1436-34-6) + n-butyl magnesium bromide (693-03-8) → decan-5-ol (5205-34-5)

Guidance literature:

With 2-thienyl lithium; In tetrahydrofuran; -78 deg C; 0 deg C, 4h;

DOI:10.1016/S0040-4020(01)90576-9

Reference yield: 73.0%

Ethyl hexanoate (123-66-0) + butyl magnesium bromide (693-04-9) → decan-5-ol (5205-34-5)

Guidance literature:

Ethyl hexanoate; With lithium diisobutyl-tert-butoxyaluminum hydride; In tetrahydrofuran; hexane; at 0 ℃;

butyl magnesium bromide; In tetrahydrofuran; diethyl ether; hexane; at 20 ℃; for 0.5h;

With hydrogenchloride; water; In tetrahydrofuran; diethyl ether; hexane;

DOI:10.1016/j.tetlet.2011.02.005

upstream raw materials:

pentanal

n-pentylmagnesium bromide

decan-5-one

(2S)-trans-2,3-dibutyl-oxirane

Downstream raw materials:

decan-5-one

5-Decyl-p-toluolsulfonat

Refernces

• 1、 -. "ALKANE OXIDATION BY MODIFIED HYDROXYLASES". Paragraph 0341. . Retrieved 2016/02/16.
• 2、 Chae, Min Jung,Jeon, Ah Ram,Park, Jae Kyo,An, Duk Keun. "A novel one-pot synthesis of secondary alcohols from esters". experimental part. p. 1718 - 1720. Retrieved 2011/04/25.