trans-3-Hexenyl acetate

Base Information

• Chemical Name: trans-3-Hexenyl acetate
• CAS No.: 1708-82-3
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.198
• European Community (EC) Number: 222-962-2,216-965-8
• UNII: E556G2EOZD
• DSSTox Substance ID: DTXSID00880889
• Nikkaji Number: J118.139D,J118.140H
• Wikidata: Q27276882
• Metabolomics Workbench ID: 3824
• Mol file: 1708-82-3.mol

Synonyms:3-hexenyl acetate;3-hexenylacetate;cis-3-hexenyl acetate

Chemical Property of trans-3-Hexenyl acetate

Chemical Property:

• Vapor Pressure: 1.22mmHg at 25°C
• Refractive Index: n20/D 1.427(lit.)
• Boiling Point: 174.2°Cat760mmHg
• Flash Point: 67.5°C
• PSA: 26.30000
• Density: 0.901g/cm³
• LogP: 1.90580
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of trans-3-Hexenyl acetate

There total 27 articles about trans-3-Hexenyl 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%

(Z)-3-Hexen-1-ol (928-96-1) + acetic anhydride (108-24-7) → (Z)-3-Hexenyl acetate (3681-71-8,1708-82-3)

Guidance literature:

zinc(II) perchlorate; at 20 ℃; for 1.83333h;

DOI:10.1002/ejoc.200300458

Reference yield: 99.0%

(E)-3-hexen-1-ol (928-97-2) + acetic anhydride (108-24-7) → acetic acid hex-3-enyl ester (3681-82-1,1708-82-3)

Guidance literature:

zinc(II) perchlorate; at 20 ℃; for 1h;

DOI:10.1002/ejoc.200300458

Reference yield: 97.0%

(Z)-3-Hexen-1-ol (928-96-1) + acetic acid (64-19-7,77671-22-8) → (Z)-3-Hexenyl acetate (3681-71-8,1708-82-3)

Guidance literature:

With cobalt(II) chloride; at 60 ℃; for 10h;

DOI:10.1016/j.tet.2005.01.006

upstream raw materials:

(Z)-3-Hexen-1-ol

sodium acetate

acetic anhydride

2-(3-ethyloxiranyl)ethyl acetate

Refernces

• 1、 Li, Xiaoshuan,Yu, Dinghua,Zhang, Wengui,Li, Zhengwen,Zhang, Xiaowei,Huang, He. "Effective synthesis of cis-3-hexen-1-yl acetate via transesterification over KOH/γ-Al2O3: Structure and catalytic performance". . p. 1 - 7. Retrieved 2013.
• 2、 Katsin,Ogibin,Nikishin. "Oxidation of acetoxyalkyl radicals by divalent copper salts". . p. 129 - 133. Retrieved 1974.
• 3、 -. "Preparing method and application of aminopyridine derivative". Paragraph 0101-0103; 0108; 0109; 0113. . Retrieved 2019/07/16.