4-(2,4,4-Trimethylpentan-2-yl)phenyl acetate

Base Information

• Chemical Name: 4-(2,4,4-Trimethylpentan-2-yl)phenyl acetate
• CAS No.: 5454-15-9
• Molecular Formula: C16H24O2
• Molecular Weight: 248.3606
• Hs Code.: 2915390090
• NSC Number: 23067
• DSSTox Substance ID: DTXSID20281793
• Wikidata: Q82015871
• Mol file: 5454-15-9.mol

Synonyms:4-(2,4,4-trimethylpentan-2-yl)phenyl acetate;5454-15-9;[4-(2,4,4-trimethylpentan-2-yl)phenyl] acetate;NSC23067;SCHEMBL7620007;DTXSID20281793;NSC 23067;NSC-23067

Chemical Property of 4-(2,4,4-Trimethylpentan-2-yl)phenyl acetate

Chemical Property:

• Vapor Pressure: 0.000422mmHg at 25°C
• Boiling Point: 316°Cat760mmHg
• Flash Point: 111.9°C
• PSA: 26.30000
• Density: 0.955g/cm³
• LogP: 4.32570
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 248.177630004
• Heavy Atom Count: 18
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

4-TERT-OCTYLPHENOL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C

Technology Process of 4-(2,4,4-Trimethylpentan-2-yl)phenyl acetate

There total 2 articles about 4-(2,4,4-Trimethylpentan-2-yl)phenyl 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:

acetic anhydride (108-24-7) + tert-octylphenol (140-66-9) → 1-acetoxy-4-(1,1,3,3-tetramethyl-butyl)-benzene (5454-15-9)

Guidance literature:

Reference yield:

tert-octylphenol (140-66-9) + acetyl chloride (75-36-5) → 1-acetoxy-4-(1,1,3,3-tetramethyl-butyl)-benzene (5454-15-9)

Guidance literature:

upstream raw materials:

acetic anhydride

tert-octylphenol

acetyl chloride