1-Butylpentyl acetate

Base Information

• Chemical Name: 1-Butylpentyl acetate
• CAS No.: 3857-24-7
• Molecular Formula: C11H22O2
• Molecular Weight: 186.294
• Hs Code.: 2915390090
• European Community (EC) Number: 223-367-0
• NSC Number: 55896
• DSSTox Substance ID: DTXSID70191893
• Nikkaji Number: J217.718H
• Wikidata: Q83064483
• Mol file: 3857-24-7.mol

Synonyms:1-Butylpentyl acetate;1-Butylpentylacetate;3857-24-7;5-Nonanol, acetate;nonan-5-yl acetate;EINECS 223-367-0;5-nonyl acetate;NSC55896;1-Butylpentyl ethanoate;Acetic acid nonan-5-yl ester;SCHEMBL8669152;DTXSID70191893;NSC 55896;NSC-55896;AKOS006284171

Chemical Property of 1-Butylpentyl acetate

Chemical Property:

• Vapor Pressure: 0.158mmHg at 25°C
• Boiling Point: 214.2°Cat760mmHg
• Flash Point: 82.9°C
• PSA: 26.30000
• Density: 0.87g/cm³
• LogP: 3.29850
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 186.161979940
• Heavy Atom Count: 13
• Complexity: 124

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CCCC)OC(=O)C

Technology Process of 1-Butylpentyl acetate

There total 2 articles about 1-Butylpentyl 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%

5-nonanol (623-93-8) + acetic anhydride (108-24-7) → nonan-5-yl acetate (3857-24-7)

Guidance literature:

With polyvinylpolypyrrolidone-bound boron trifluoride; In acetonitrile; at 20 ℃; for 2h;

DOI:10.1016/j.crci.2012.01.011

Reference yield:

5-nonanol (623-93-8) + acetyl chloride (75-36-5) → nonan-5-yl acetate (3857-24-7)

Guidance literature:

Reference yield: 89.0%

nonan-5-yl acetate (3857-24-7) → 5-nonanol (623-93-8)

Guidance literature:

With 2C₃₃H₃₇N*H₂O₇S₂; water; at 80 ℃; for 24h;

upstream raw materials:

5-nonanol

acetyl chloride

acetic anhydride

Downstream raw materials:

5-nonanol

Refernces