1-Vinylpentyl acetate

Base Information

• Chemical Name: 1-Vinylpentyl acetate
• CAS No.: 35926-06-8
• Molecular Formula: C9H16O2
• Molecular Weight: 156.225
• Hs Code.: 2915390090
• European Community (EC) Number: 252-795-0
• DSSTox Substance ID: DTXSID50957338
• Nikkaji Number: J319.565A
• Mol file: 35926-06-8.mol

Synonyms:1-Vinylpentyl acetate;hept-1-en-3-yl acetate;35926-06-8;EINECS 252-795-0;1-Hepten-3-ol, acetate;Acetic acid 1-vinylpentyl ester;DTXSID50957338;SIOVHXRHPCJGFJ-UHFFFAOYSA-N;AKOS006287111

Chemical Property of 1-Vinylpentyl acetate

Chemical Property:

• Vapor Pressure: 0.641mmHg at 25°C
• Boiling Point: 187.1°Cat760mmHg
• Flash Point: 67.3°C
• PSA: 26.30000
• Density: 0.887g/cm³
• LogP: 2.29430
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(C=C)OC(=O)C

Technology Process of 1-Vinylpentyl acetate

There total 7 articles about 1-Vinylpentyl 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: 97.0%

1-hepten-3-ol (4938-52-7) + acetyl chloride (75-36-5) → 1-butyl-2-propenyl acetate (35926-06-8)

Guidance literature:

With dmap; In dichloromethane;

DOI:10.1016/j.tetasy.2007.02.012

Reference yield:

1-Heptene (592-76-7) → 1-butyl-2-propenyl acetate (35926-06-8) + acetic acid hept-2-enyl ester (1576-79-0)

Guidance literature:

With mercury(II) diacetate; In acetic acid;

DOI:10.1021/ja00762a025

Reference yield:

pentanal (110-62-3) → 1-butyl-2-propenyl acetate (35926-06-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / tetrahydrofuran / -15 - 20 °C

2: 97 percent / DMAP / CH₂Cl₂

With dmap; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.tetasy.2007.02.012

upstream raw materials:

1-Heptene

(E)-1-chloro-2-heptene

sodium acetate

1-hepten-3-ol

Downstream raw materials:

1-(hept-1-en-3-ylsulfonyl)-4-methylbenzene

1-[((Z)-Hept-2-ene)-1-sulfonyl]-4-methyl-benzene

1-[((E)-Hept-2-ene)-1-sulfonyl]-4-methyl-benzene

(S)-Hept-1-en-3-ol