Sorbyl acetate

Base Information

• Chemical Name: Sorbyl acetate
• CAS No.: 57006-69-6
• Deprecated CAS: 122579-58-2
• Molecular Formula: C8H12O2
• Molecular Weight: 140.182
• European Community (EC) Number: 216-163-8,887-300-2
• UNII: 5416SJ1T8T
• DSSTox Substance ID: DTXSID701283446
• Nikkaji Number: J184.553E,J33.460J
• Wikidata: Q27261148
• Metabolomics Workbench ID: 3825
• Mol file: 57006-69-6.mol

Synonyms:Sorbyl acetate;1516-17-2;trans,trans-2,4-Hexadienyl acetate;2,4-Hexadienyl acetate;Hexa-2,4-dien-1-yl acetate;Hexa-2,4-dienyl acetate;57006-69-6;[(2E,4E)-hexa-2,4-dienyl] acetate;2,4-Hexadien-1-ol, acetate;(2E,4E)-hexa-2,4-dien-1-yl acetate;(E,E)-2,4-Hexadienyl acetate;2E,4E-Hexadienyl acetate;ACETIC ACID, 2,4-HEXADIENYL ESTER;FEMA no. 4132;Acetic acid, 2,4-hexadien-1-ol ester;Hexa-2,4-dienyl A;(2E,4E)-2,4-Hexadienyl acetate;2,4-Hexadien-1-ol, 1-acetate;2,4-Hexadienylester kyseliny octove;EINECS 216-163-8;UNII-5416SJ1T8T;AI3-32962;2,4-Hexadienylester kyseliny octove [Czech];5416SJ1T8T;trans,trans-Hexa-2,4-dienyl acetate;Acetic acid (2E,4E)-2,4-hexadienyl ester;(E,E)-sorbyl acetate;SCHEMBL1302474;SCHEMBL1302475;hexa - 2,4 - dienyl acetate;SCHEMBL15978101;CHEBI:191490;CHEBI:194509;DTXSID701283446;1-acetoxy-(E,E)-2,4-hexadiene;BAA51617;(2E,4E)-hexa-2,4-dienyl acetate;(E,E)-2,4-hexadien-1-ol acetate;LMFA07010180;AKOS025294573;(2E,4E)-2,4-Hexadienyl acetate #;CS-W016457;(2E,4E)-2,4-hexadien-1-yl acetate;2,4-HEXADIENYL ACETATE [FHFI];BS-52946;(2E,4E)-2,4-hexadien-1-ol 1-acetate;trans,trans-2,4-Hexadienyl acetate, 97%;Acetic acid(2E,4E)-2,4-hexadienyl ester;A809197;J-500788;Q27261148

Chemical Property of Sorbyl acetate

Chemical Property:

• PSA: 26.30000
• LogP: 1.68180
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC=CCOC(=O)C
• Isomeric SMILES: C/C=C/C=C/COC(=O)C

Technology Process of Sorbyl acetate

There total 17 articles about Sorbyl 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: 99.0%

Sorbyl alcohol (17102-64-6) + acetic anhydride (108-24-7) → (E,E)-sorbyl acetate (57006-69-6)

Guidance literature:

In neat (no solvent); at 60 ℃; for 5h;

DOI:10.1002/anie.201703186

Reference yield: 90.0%

Sorbyl alcohol (17102-64-6) → (E,E)-sorbyl acetate (57006-69-6)

Guidance literature:

Reference yield: 80.0%

(Z)-3-acetoxyhexa-1,4-diene → (E,E)-sorbyl acetate (57006-69-6)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In benzene;

DOI:10.1039/c39810001030

upstream raw materials:

sorbic Acid

acetic anhydride

(2E,4E)-methylhexa-2,4-dienoate

Sorbyl alcohol

Downstream raw materials:

(8E,10E)-dodeca-8,10-dienol

[Bis-(4-methoxy-phenyl)-methyl]-((2E,4E)-hexa-2,4-dienyl)-amine

[Bis-(4-methoxy-phenyl)-methyl]-bis-((2E,4E)-hexa-2,4-dienyl)-amine

2-methylphenyl acetate

Refernces

• 1、 -. "Synthesis method of laspeyresia pomonella sex pheromone". Paragraph 0030; 0033; 0034; 0039; 0042; 0043. . Retrieved 2019/09/17.
• 2、 Pilipenko,Sharipov,Valeev. "Eleuthesides and their analogs: VII. Synthesis of menthane derivatives by the Diels-Alder reaction of levoglucosenone with (2E,4E)-hexa-2,4-dien-1-yl acetate". . p. 1504 - 1510. Retrieved 2015/02/19.