7-Hexadecanol

Base Information

• Chemical Name: 7-Hexadecanol
• CAS No.: 591-72-0
• Molecular Formula: C16H34O
• Molecular Weight: 242.445
• NSC Number: 158530
• DSSTox Substance ID: DTXSID00303482

Synonyms:1-Decanol, hexyl-;hexadecan-7-ol;7-Hexadecanol;591-72-0;92353-16-7;NSC158530;SCHEMBL131552;DTXSID00303482;SFFVATKALSIZGN-UHFFFAOYSA-N;AKOS014482558;NSC-158530;E87800

Chemical Property of 7-Hexadecanol

Chemical Property:

• Vapor Pressure: 8.34E-05mmHg at 25°C
• Boiling Point: 304.4°Cat760mmHg
• Flash Point: 118.6°C
• Density: 0.834g/cm³
• XLogP3: 7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 242.260965704
• Heavy Atom Count: 17
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(CCCCCC)O

Technology Process of 7-Hexadecanol

There total 4 articles about 7-Hexadecanol 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: 65.0%

octanol (111-87-5) + rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) → 1-hexyl decanol (591-72-0) + hexadecan-7-one (45206-91-5)

Guidance literature:

With [Ru(P(NOH)₂)Cl₂(PPh₃)]; sodium hydroxide; In toluene; at 150 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.7b02042

Reference yield:

Hexadecane (544-76-3) → 1-hexyl decanol (591-72-0) + hexadecan-7-one (45206-91-5) + hexadecan-6-one (57661-23-1) + hexadecan-5-one (41903-81-5) + hexadecan-3-one (18787-64-9) + hexadecan-2-one (18787-63-8) + hexadecan-4-one (18787-65-0)

Guidance literature:

With Na₁₀[{Sb^V(OH)₃}₂{V^IVO(H₂O)}₂{Sb^IIIW₉O₃₃}₂]*32H₂O; at 150 ℃; for 6h; Catalytic behavior; Green chemistry;

DOI:10.1016/j.ica.2013.06.001

Reference yield:

Hexadecane (544-76-3) → 3-hexadecyl alcohol (593-03-3) + 1-hexyl decanol (591-72-0) + 5-hexadecanol (21078-87-5) + hexadecane-4-ol (19781-43-2) + hexadecan-2-ol (14852-31-4) + hexadecan-7-one (45206-91-5) + hexadecan-6-one (57661-23-1) + hexadecan-3-one (18787-64-9) + hexadecan-2-one (18787-63-8) + hexadecan-4-one (18787-65-0)

Guidance literature:

With 2percent Au/2percent TESPTS in mesoporous silica; at 150 ℃; for 6h; Reagent/catalyst; Reactivity; Air;

upstream raw materials:

Hexadecane

octanol

rac-octan-2-ol

Downstream raw materials:

hexadecan-7-one

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