2,3-Dimethylbutyl acetate

Base Information

• Chemical Name: 2,3-Dimethylbutyl acetate
• CAS No.: 71412-26-5
• Molecular Formula: C8H16 O2
• Molecular Weight: 144.214
• European Community (EC) Number: 275-432-8
• DSSTox Substance ID: DTXSID70991774
• Nikkaji Number: J295.002B
• Mol file: 71412-26-5.mol

Synonyms:2,3-Dimethylbutyl acetate;71412-26-5;EINECS 275-432-8;SCHEMBL6783950;2,3-Dimethyl-1-butanol acetate;DTXSID70991774

Chemical Property of 2,3-Dimethylbutyl acetate

Chemical Property:

• Vapor Pressure: 5.1mmHg at 25°C
• Boiling Point: 144.4°C at 760 mmHg
• Flash Point: 34.7°C
• PSA: 26.30000
• Density: 0.874g/cm³
• LogP: 1.84160
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)COC(=O)C

Technology Process of 2,3-Dimethylbutyl acetate

There total 4 articles about 2,3-Dimethylbutyl 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:

2,3-dimethylbutyric acid (14287-61-7) → acetic acid-(2,3-dimethyl-butyl ester) (71412-26-5)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium alanate; diethyl ether

2: sulfuric acid / beim Erhitzen

With lithium aluminium tetrahydride; diethyl ether; sulfuric acid;

DOI:10.1021/ja01601a068

Reference yield:

Isopropenyl acetate (108-22-5) + 2,3-dimethylbutanol (19550-30-2,20281-85-0) → acetic acid-(2,3-dimethyl-butyl ester) (71412-26-5)

Guidance literature:

With sulfuric acid; beim Erhitzen;

DOI:10.1021/ja01601a068

Reference yield:

→ acetic acid-(2,3-dimethyl-butyl ester) (71412-26-5)

Guidance literature:

Essigsaeure-(2,3-dimethyl-buten-(3)-ylester), H2;

upstream raw materials:

(2S)-(+)-2,3-dimethyl-1-butanol

acetic anhydride

Isopropenyl acetate

2,3-dimethylbutanol