Pentadecan-8-ol

Base Information

• Chemical Name: Pentadecan-8-ol
• CAS No.: 1653-35-6
• Molecular Formula: C15H32 O
• Molecular Weight: 228.418
• European Community (EC) Number: 216-726-8
• NSC Number: 158535
• DSSTox Substance ID: DTXSID60167880
• Nikkaji Number: J104.699C
• Wikidata: Q83037377
• Mol file: 1653-35-6.mol

Synonyms:Pentadecan-8-ol;8-PENTADECANOL;1653-35-6;EINECS 216-726-8;NSC158535;1-Heptyloctyl alcohol;C(O)(CCCCCCC)CCCCCCC;SCHEMBL2507518;DTXSID60167880;AKOS014482552;NSC 158535;NSC-158535;AS-76044;CS-0362570;D92914

Chemical Property of Pentadecan-8-ol

Chemical Property:

• Vapor Pressure: 0.000229mmHg at 25°C
• Melting Point: 53.5-54.3 °C(Solv: ethyl acetate (141-78-6))
• Refractive Index: 1.4249 (estimate)
• Boiling Point: 290.2°Cat760mmHg
• PKA: 15.36±0.20(Predicted)
• Flash Point: 114.7°C
• PSA: 20.23000
• Density: 0.833g/cm³
• LogP: 5.06830
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 228.245315640
• Heavy Atom Count: 16
• Complexity: 109

Purity/Quality:

99% ^*data from raw suppliers

Pentadecan-8-ol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(CCCCCCC)O

Technology Process of Pentadecan-8-ol

There total 15 articles about Pentadecan-8-ol 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%

8-Pentadecanon (818-23-5) → pentadecan-8-ol (1653-35-6)

Guidance literature:

8-Pentadecanon; With sodium tetrahydroborate; In methanol; at 0 - 20 ℃;

With water; In methanol;

Reference yield: 93.0%

1-bromo-hexane (111-25-1) + formic acid ethyl ester (109-94-4) → pentadecan-8-ol (1653-35-6)

Guidance literature:

1-bromo-hexane; With magnesium; In tetrahydrofuran; for 4h; Reflux;

formic acid ethyl ester; In tetrahydrofuran; at 20 ℃; for 5h;

Reference yield: 60.0%

n-heptylmagnesium bromide (13125-66-1) + formic acid ethyl ester (109-94-4) → pentadecan-8-ol (1653-35-6)

Guidance literature:

In tetrahydrofuran; at -15 - 20 ℃; Inert atmosphere;

upstream raw materials:

octanol

8-Pentadecanon

ethanol

aluminum isopropoxide

Downstream raw materials:

7-pentadecene

8-Pentadecanon

2-heptyl-nonanoic acid

8-Pentadecanyl diphenyl phosphate