1-(2,4-Diethylphenyl)ethan-1-one

Base Information

• Chemical Name: 1-(2,4-Diethylphenyl)ethan-1-one
• CAS No.: 52191-01-2
• Molecular Formula: C12H16 O
• Molecular Weight: 176.258
• Hs Code.: 2914399090
• European Community (EC) Number: 257-727-3
• UNII: 5MJ1D14W7W
• DSSTox Substance ID: DTXSID2068715
• Nikkaji Number: J279.478K
• Wikidata: Q27262568
• Mol file: 52191-01-2.mol

Synonyms:1-(2,4-diethylphenyl)ethanone;1-(2,4-Diethylphenyl)ethan-1-one;52191-01-2;Ethanone, 1-(2,4-diethylphenyl)-;EINECS 257-727-3;UNII-5MJ1D14W7W;5MJ1D14W7W;SCHEMBL3737547;DTXSID2068715;1 - (2,4 - diethylphenyl)ethan - 1 - one;Q27262568

Chemical Property of 1-(2,4-Diethylphenyl)ethan-1-one

Chemical Property:

• Vapor Pressure: 0.00363mmHg at 25°C
• Boiling Point: 281.1°Cat760mmHg
• Flash Point: 115.4°C
• PSA: 17.07000
• Density: 0.944g/cm³
• LogP: 3.01400
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

2',4'-DIETHYLACETOPHENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C=C1)C(=O)C)CC

Technology Process of 1-(2,4-Diethylphenyl)ethan-1-one

There total 2 articles about 1-(2,4-Diethylphenyl)ethan-1-one 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: 85.2%

m-diethylbenzene (141-93-5) + acetyl chloride (75-36-5) → 1-(2,4-diethylphenyl)ethanone (52191-01-2)

Guidance literature:

With aluminum (III) chloride;

Reference yield:

→ 1-(2,4-diethylphenyl)ethanone (52191-01-2)

Guidance literature:

DOI:10.1139/v63-305

Reference yield: 68.2%

1-(2,4-diethylphenyl)ethanone (52191-01-2) → 2-ethyl-1,4-diacetylbenzene (105640-00-4) + 5-acetyl-3-methylisobenzofuran-1(3H)-one (1260119-33-2)

Guidance literature:

With chromium(VI) oxide; Ce⁽²⁺⁾*2O₄S^(2-); In acetic acid;

upstream raw materials:

m-diethylbenzene

acetyl chloride

Downstream raw materials:

2,4-diethylbenzoic acid

4-ethyl-1,2-diacetylbenzene

1-(2,4-diacetylphenyl)ethanone

2,4-diethyl-4'-methoxydibenzoylmethane

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