1-Hexen-3-yl acetate

Base Information

• Chemical Name: 1-Hexen-3-yl acetate
• CAS No.: 35926-04-6
• Deprecated CAS: 82999-00-6
• Molecular Formula: C8H14O2
• Molecular Weight: 142.198
• Hs Code.: 2915390090
• European Community (EC) Number: 252-794-5
• DSSTox Substance ID: DTXSID60885638
• Nikkaji Number: J319.564C
• Wikidata: Q82864287
• Mol file: 35926-04-6.mol

Synonyms:1-Hexen-3-yl acetate;35926-04-6;hex-1-en-3-yl acetate;1-Hexen-3-ol, acetate;1-Propylallyl acetate;1-Hexen-3-ol, 3-acetate;EINECS 252-794-5;1-HEXEN-3-OL ACETATE;cis-hexen-3-ylacetat;hex-1-en-3-yl ethanoate;Acetic acid 1-vinylbutyl ester;SCHEMBL2850328;DTXSID60885638;acetic acid hex-1-en-3-yl ester;AKOS006274302;FT-0691070;A842465;1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 1-(1,1-dimethylethyl) ester, (2S)-

Chemical Property of 1-Hexen-3-yl acetate

Chemical Property:

• Vapor Pressure: 1.95mmHg at 25°C
• Refractive Index: 1.422
• Boiling Point: 164.621 °C at 760 mmHg
• Flash Point: 55.421 °C
• PSA: 26.30000
• Density: 0.891 g/cm³
• LogP: 1.90420
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

1-HEXEN-3-YL ACETATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C=C)OC(=O)C

Technology Process of 1-Hexen-3-yl acetate

There total 16 articles about 1-Hexen-3-yl 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: 96.0%

acetic acid (64-19-7,77671-22-8) + (Z)-2-hexen-1-yl trichloroacetimidate (611182-31-1) → 3-acetoxy-1-hexene (35926-04-6)

Guidance literature:

With palladium diacetate; In dichloromethane; at 23 ℃; for 5h; Inert atmosphere;

DOI:10.1021/ja106685w

Reference yield: 87.0%

1-hexene-3-ol (4798-44-1,67928-93-2) + acetyl chloride (75-36-5) → 3-acetoxy-1-hexene (35926-04-6)

Guidance literature:

In dichloromethane; 1.) 0 deg C, 2.) room temperature, 1 h;

DOI:10.1016/S0040-4020(01)80747-X

Reference yield: 59.0%

1-hexene-3-ol (4798-44-1,67928-93-2) + acetic anhydride (108-24-7) → 3-acetoxy-1-hexene (35926-04-6)

Guidance literature:

With pyridine; at 20 ℃; for 3h;

DOI:10.1002/ejoc.201501290

upstream raw materials:

1-hexene

tert-butyl peroxyacetate

trans-1-methylcarbonyloxy-2-hexene oxide

1-hexene-3-ol

Downstream raw materials:

(E)-1-(2,5-dimethoxyphenyl)hex-1-en-3-yl acetate

(E)-2-hexen-1-yl acetate

(Z)-Hex-2-en-1-yl acetate

Refernces

• 1、 Zhang, Tian-Yuan,Deng, Yi,Wei, Kun,Yang, Yu-Rong. "Enantioselective iridium-catalyzed allylic alkylation of racemic branched alkyl-substituted allylic acetates with malonates". supporting information. p. 1086 - 1089. Retrieved 2021/02/06.
• 2、 Wan, Xiaolong,Hu, Jiadong,Xu, Dongyang,Shang, Yang,Zhen, Yanxia,Hu, Chenchen,Xiao, Fan,He, Yu-Peng,Lai, Yisheng,Xie, Weiqing. "A Re2O7catalyzed cycloetherification of monoallylic diols". supporting information. p. 1090 - 1093. Retrieved 2017/03/02.