cis-3-Hexenyl acetate

Base Information

• Chemical Name: cis-3-Hexenyl acetate
• CAS No.: 3681-71-8
• Deprecated CAS: 25152-87-8
• Molecular Formula: C8H14O2
• Molecular Weight: 142.198
• Hs Code.: 29153900
• European Community (EC) Number: 222-960-1,216-965-8
• UNII: 6INA6GC5I6
• DSSTox Substance ID: DTXSID0041484
• Nikkaji Number: J118.141F
• Wikidata: Q1368869
• RXCUI: 1426376
• Metabolomics Workbench ID: 3826
• ChEMBL ID: CHEMBL2251454
• Mol file: 3681-71-8.mol

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

Chemical Property of cis-3-Hexenyl acetate

Chemical Property:

• Appearance/Colour: colorless to pale yellow liquid
• Vapor Pressure: 2.14hPa at 25℃
• Refractive Index: n20/D 1.427(lit.)
• Boiling Point: 174.2 °C at 760 mmHg
• Flash Point: 67.5 °C
• PSA: 26.30000
• Density: 0.901 g/cm³
• LogP: 1.90580
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: 1.11g/L at 20℃
• 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

LeafAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/38:Irritating to eyes and skin.
• Hazard Codes: R36/38:Irritating to eyes and skin.
• Statements: 36/38-10
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC=CCCOC(=O)C
• Isomeric SMILES: CC/C=C\CCOC(=O)C
• Description: cis-3-Hexen-1 -y 1-acetate has a powerful green, floral note reminiscent of banana. It may be prepared by acetylation of the corresponding alcohol.

Technology Process of cis-3-Hexenyl acetate

There total 13 articles about cis-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: 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

Reference yield: 90.0%

(Z)-3-Hexen-1-ol (928-96-1) + acetyl chloride (75-36-5) → (Z)-3-Hexenyl acetate (3681-71-8,1708-82-3)

Guidance literature:

With N,N-dimethyl-aniline; In diethyl ether; for 2h; Heating;

DOI:10.1246/bcsj.58.2217

upstream raw materials:

(Z)-3-Hexen-1-ol

sodium acetate

acetic anhydride

2-(3-ethyloxiranyl)ethyl acetate

Downstream raw materials:

acetic acid hex-3-enyl ester

3-acetoxypropaneperoxoic acid

2-hydroxyethyl 3-acetoxypropanoate

3-acetoxypropanal

Refernces

• 1、 -. "Preparing method and application of aminopyridine derivative". Paragraph 0101-0103; 0108; 0109; 0113. . Retrieved 2019/07/16.
• 2、 Liaquat, Muhammad,Mehmood, Talat,Khan, Sami-Ullah,Ahmed, Zahoor,Saeed, Muhammad,Aslam, Sher,Khan, Junaid,Ali, Naushad,Nawaz, Mohsan,Jahangir, Muhammad. "Parameters affecting the synthesis of (Z)-3-hexen-1-yl acetate by transesterifacation in organic solvent". . p. 323 - 334. Retrieved 2015/05/27.