2,2-Diethylbutyl acetate

Base Information

• Chemical Name: 2,2-Diethylbutyl acetate
• CAS No.: 10332-40-8
• Molecular Formula: C₁₀H₂₀O₂
• Molecular Weight: 172.268
• DSSTox Substance ID: DTXSID50908325
• Wikidata: Q82877719
• Mol file: 10332-40-8.mol

Synonyms:2,2-DIETHYLBUTYL ACETATE;2,2-diethylbutyl ethanoate;10332-40-8;DTXSID50908325;1-Butanol, 2,2-diethyl-, acetate

Chemical Property of 2,2-Diethylbutyl acetate

Chemical Property:

• Vapor Pressure: 0.74mmHg at 25°C
• Boiling Point: 184.2°Cat760mmHg
• Flash Point: 64.7°C
• PSA: 26.30000
• Density: 0.873g/cm³
• LogP: 2.76590
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)(CC)COC(=O)C

Technology Process of 2,2-Diethylbutyl acetate

There total 2 articles about 2,2-Diethylbutyl 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:

triethylacetic acid (813-58-1) → acetic acid-(2,2-diethyl-butyl ester) (10332-40-8)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium alanate; diethyl ether

2: pyridine; diethyl ether

With pyridine; lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/ja01601a068

Reference yield:

2,2-diethyl-1-butanol (13023-60-4) + acetyl chloride (75-36-5) → acetic acid-(2,2-diethyl-butyl ester) (10332-40-8)

Guidance literature:

With pyridine; diethyl ether;

DOI:10.1021/ja01601a068

upstream raw materials:

2,2-diethyl-1-butanol

acetyl chloride

triethylacetic acid