5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid

Base Information

• Chemical Name: 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid
• CAS No.: 500892-07-9
• Molecular Formula: C₁₄H₁₈O₃
• Molecular Weight: 234.295
• Hs Code.: 2918300090
• NSC Number: 171233
• DSSTox Substance ID: DTXSID60305604
• Nikkaji Number: J2.148.392C
• Wikidata: Q82052292
• Mol file: 500892-07-9.mol

Synonyms:500892-07-9;5-oxo-5-(2,4,6-trimethylphenyl)pentanoic acid;5-(2,4,6-TRIMETHYLPHENYL)-5-OXOVALERIC ACID;MFCD09801799;NSC171233;SCHEMBL6626204;DTXSID60305604;AKOS009241924;NSC-171233;NCGC00339252-01;EN300-43460;AB01331694-02;5-(2,4,6-TRIMETHYLPHENYL)-5-OXOVALERICACID;Z361415268;5-(2,4,6-TRIMETHYLPHENYL)-5-OXOVALERIC ACID,97%

Chemical Property of 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid

Chemical Property:

• Vapor Pressure: 7.67E-08mmHg at 25°C
• Boiling Point: 421.1°C at 760 mmHg
• Flash Point: 222.6°C
• PSA: 54.37000
• Density: 1.095g/cm³
• LogP: 3.04940
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 234.125594432
• Heavy Atom Count: 17
• Complexity: 273

Purity/Quality:

5-(2,4,6-Trimethylphenyl)-5-oxovalericacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)C(=O)CCCC(=O)O)C

Technology Process of 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid

There total 1 articles about 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid 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: 95.0%

glutaric anhydride, (108-55-4) + 1,3,5-trimethyl-benzene (108-67-8) → 5-oxo-5-(2,4,6-trimethylphenyl)pentanoic acid (500892-07-9)

Guidance literature:

With aluminum (III) chloride; In 1,2-dichloro-ethane; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/adsc.201300370

upstream raw materials:

glutaric anhydride,

1,3,5-trimethyl-benzene

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