Undec-1-en-3-yl acetate

Base Information

• Chemical Name: Undec-1-en-3-yl acetate
• CAS No.: 94088-25-2
• Molecular Formula: C13H24 O2
• Molecular Weight: 212.332
• Hs Code.: 2915390090
• European Community (EC) Number: 302-023-4
• DSSTox Substance ID: DTXSID00916531
• Nikkaji Number: J288.531J
• Mol file: 94088-25-2.mol

Synonyms:Undec-1-en-3-yl acetate;94088-25-2;EINECS 302-023-4;ACETIC ACID 1-OCTYL-ALLYL ESTER;3-Acetoxy-1-undecene;SCHEMBL6503353;DTXSID00916531;AKOS024331860

Chemical Property of Undec-1-en-3-yl acetate

Chemical Property:

• Vapor Pressure: 0.00831mmHg at 25°C
• Boiling Point: 267.1°Cat760mmHg
• Flash Point: 109.6°C
• PSA: 26.30000
• Density: 0.877g/cm³
• LogP: 3.85470
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 212.177630004
• Heavy Atom Count: 15
• Complexity: 175

Purity/Quality:

98%Min ^*data from raw suppliers

ACETIC ACID 1-OCTYL-ALLYL ESTER Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCC(C=C)OC(=O)C

Technology Process of Undec-1-en-3-yl acetate

There total 3 articles about Undec-1-en-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:

1-undecene (821-95-4) + acetic acid (64-19-7,77671-22-8) → undec-1-en-3-yl acetate (94088-25-2)

Guidance literature:

With [1,2-bis-(phenylsulfinyl)ethane]palladium(II) acetate; p-benzoquinone; In 1,4-dioxane; at 45 ℃; for 24h; regioselective reaction; Molecular sieve;

DOI:10.1002/anie.200802106

Reference yield:

1-undecene (821-95-4) + acetic acid (64-19-7,77671-22-8) → undec-1-en-3-yl acetate (94088-25-2) + E-2-undecen-1-ol acetate (100288-67-3)

Guidance literature:

With palladium diacetate; Phenyl vinyl sulfoxide; p-benzoquinone; In 1,4-dioxane; at 43 ℃; Further Variations:; Reagents; Solvents; Product distribution;

DOI:10.1021/ja0500198

Reference yield:

→ undec-1-en-3-yl acetate (94088-25-2)

Guidance literature:

Acrolein, Octylmagnesiumbromide, Diaethylaether;

upstream raw materials:

1-undecene

acetic acid

Downstream raw materials:

1-undecene