(E)-9-Hexadecenyl acetate

Base Information

• Chemical Name: (E)-9-Hexadecenyl acetate
• CAS No.: 56218-69-0
• Molecular Formula: C18H34O2
• Molecular Weight: 282.467
• Nikkaji Number: J1.015.706D
• Wikidata: Q76304627
• Metabolomics Workbench ID: 3992
• Mol file: 56218-69-0.mol

Synonyms:(E)-9-Hexadecenyl acetate;56218-69-0;[(E)-hexadec-9-enyl] acetate;9E-Hexadecenyl acetate;trans-9-Hexadecen-1-yl acetate;9-Hexadecen-1-ol, acetate, (E)-;9-hexadecenyl acetate;SCHEMBL593385;SCHEMBL1301274;Acetic acid 9-hexadecenyl ester;CHEBI:137771;VAKBQCYSUVICLV-CMDGGOBGSA-N;LMFA07010347

Chemical Property of (E)-9-Hexadecenyl acetate

Chemical Property:

• Vapor Pressure: 1.61E-05mmHg at 25°C
• Boiling Point: 365°C at 760 mmHg
• Flash Point: 98.7°C
• PSA: 26.30000
• Density: 0.875g/cm³
• LogP: 5.80680
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 282.255880323
• Heavy Atom Count: 20
• Complexity: 234

Purity/Quality:

98.5% ^*data from raw suppliers

9E-HEXADECENYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC=CCCCCCCCCOC(=O)C
• Isomeric SMILES: CCCCCC/C=C/CCCCCCCCOC(=O)C

Technology Process of (E)-9-Hexadecenyl acetate

There total 2 articles about (E)-9-Hexadecenyl acetate 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: 1.3%

oct-1-ene (111-66-0,25068-25-1) + 9-decen-1-yl acetate (50816-18-7) → ethene (74-85-1) + (E)-9-hexadecenyl acetate (56218-69-0) + diacetoxy-1,8 octadecene-9 (57568-18-0)

Guidance literature:

tetramethylstannane; tungsten(VI) chloride; at 70 ℃; for 5h;

DOI:10.1016/0040-4020(80)80163-3

Reference yield:

9-bromononan-1-ol (55362-80-6) → (E)-9-hexadecenyl acetate (56218-69-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / acetonitrile

2: 71 percent / DMSO, NaY / tetrahydrofuran / 0.5 h

3: pyridine

With pyridine; dimethyl sulfoxide; In tetrahydrofuran; acetonitrile;

DOI:10.1271/bbb1961.44.257

Reference yield:

(E)-9-hexadecenyl acetate (56218-69-0) + acetic acid (64-19-7,77671-22-8) → oenanthic acid (111-14-8) + 9-acetoxy nonanoic acid (30993-88-5)

Guidance literature:

DOI:10.1177/000331970105200704

upstream raw materials:

oct-1-ene

9-decen-1-yl acetate

9-bromononan-1-ol

Downstream raw materials:

oenanthic acid

9-acetoxy nonanoic acid