1-(2-Hydroxy-4,6-dimethylphenyl)ethanone

Base Information

• Chemical Name: 1-(2-Hydroxy-4,6-dimethylphenyl)ethanone
• CAS No.: 16108-50-2
• Molecular Formula: C10H12 O2
• Molecular Weight: 164.204
• Hs Code.: 2914501900
• European Community (EC) Number: 240-274-0
• UNII: 549XS9B8ED
• DSSTox Substance ID: DTXSID70167058
• Nikkaji Number: J286.822I
• Wikidata: Q83036373
• Mol file: 16108-50-2.mol

Synonyms:1-(2-hydroxy-4,6-dimethylphenyl)ethanone;16108-50-2;1-(2-hydroxy-4,6-dimethylphenyl)ethan-1-one;2'-Hydroxy-4',6'-dimethylacetophenone;Ethanone, 1-(2-hydroxy-4,6-dimethylphenyl)-;549XS9B8ED;EINECS 240-274-0;2',4'-Dimethyl-6'-hydroxyacetophenone;2-hydroxy-4,6-dimethylacetophenone;2/'-hydroxy-4/',6/'-dimethylacetophenone;UNII-549XS9B8ED;SCHEMBL2648126;DTXSID70167058;STK819613;AKOS002226022;CS-0238808;2'-Hydroxy-4',6'-dimethylacetophenone, 97%;EN300-200989;ACETOPHENONE, 2'-HYDROXY-4',6'-DIMETHYL-;Z57790061

Chemical Property of 1-(2-Hydroxy-4,6-dimethylphenyl)ethanone

Chemical Property:

• Melting Point: 62°C
• Boiling Point: 265.1°Cat760mmHg
• Flash Point: 110.2°C
• PSA: 37.30000
• Density: 1.08g/cm³
• LogP: 2.21160
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

1-(2-hydroxy-4,5-dimethylphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1-(2-Hydroxy-4,6-dimethylphenyl)ethanone

There total 34 articles about 1-(2-Hydroxy-4,6-dimethylphenyl)ethanone 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: 88.0%

5-acetoxy-m-xylene (877-82-7) → 1-(2-hydroxy-4,6-dimethylphenyl)ethanone (16108-50-2)

Guidance literature:

With aluminium trichloride; for 10h; Heating;

Reference yield: 85.82%

samarium(III) acetyl acetonate + acetylacetone (123-54-6,81235-32-7) → 1-(2-hydroxy-4,6-dimethylphenyl)ethanone (16108-50-2) + [Sm(CH3COO)3(H2O)2]2*4H2O

Guidance literature:

In neat (no solvent); byproducts: C6H3(CH3)2OH, C6H2(CH3)2COCH3OCOCH3, C6H3(CH3)2OCOCH3; mixed, refluxed for 24 h, cooled to room temp., pptd.; elem. anal., XRD;

DOI:10.1016/S0020-1693(00)00257-7

Reference yield: 84.0%

acetyl chloride (75-36-5) + 3,5-Dimethylphenol (108-68-9,50356-23-5) → 1-(2-hydroxy-4,6-dimethylphenyl)ethanone (16108-50-2)

Guidance literature:

3,5-Dimethylphenol; With titanium tetrachloride; at 20 ℃;

acetyl chloride; at 20 - 120 ℃; for 1.25h;

DOI:10.1055/s-2003-36822

upstream raw materials:

3-acetyl-2,5,7-trimethyl-chromen-4-one

5-acetoxy-m-xylene

acetic acid

3,5-Dimethylphenol

Downstream raw materials:

2'-hydroxy-4',6'-dimethylchalcone

1-(2-hydroxy-4,6-dimethyl-phenyl)-butane-1,3-dione

2-methyl-4-nitro-5-propyl-2H-pyrazole-3-carboxylic acid 2-acetyl-3,5-dimethyl-phenyl ester

1-(2-hydroxy-4,6-dimethyl-phenyl)-3-(2-methyl-4-nitro-5-propyl-2H-pyrazol-3-yl)-propane-1,3-dione

Refernces

• 1、 Heikel. "-". . . Retrieved 1936.
• 2、 Arias, José Luis,Cabrera, Armando,Sharma, Pankaj,Rosas, Noé,García, José Luis,Hernandez. "Catalytic auto-condensation of 2,4-pentanedione promoted by Sm(III) acetylacetonate: The X-ray structure of a novel complex [Sm(CH3COO)3(H2O)2](H2 O)2". . p. 261 - 264. Retrieved 2000.
• 3、 Janczak, Jan. "Solvothermal modification of magnesium phthalocyanine". . p. 88 - 103. Retrieved 2018.
• 4、 Sebej, Peter,Lim, Bum Hee,Park, Bong Ser,Givens, Richard S.,Klan, Petr. "The power of solvent in altering the course of photorearrangements". supporting information; experimental part. p. 644 - 647. Retrieved 2011/04/15.
• 5、 -. "Analogs of green tea polyphenols as chemotherapeutic and chemopreventive agents". . . Retrieved 2008/06/13.