4,6-Diethylresorcinol

Base Information

• Chemical Name: 4,6-Diethylresorcinol
• CAS No.: 52959-32-7
• Molecular Formula: C10H14 O2
• Molecular Weight: 166.22
• Hs Code.: 2907299090
• European Community (EC) Number: 258-278-6
• DSSTox Substance ID: DTXSID10200998
• Nikkaji Number: J295.846E
• Mol file: 52959-32-7.mol

Synonyms:4,6-Diethylresorcinol;52959-32-7;EINECS 258-278-6;4,6-diethylbenzene-1,3-diol;4,6-Diethyl-1,3-benzenediol;SCHEMBL11038842;DTXSID10200998

Chemical Property of 4,6-Diethylresorcinol

Chemical Property:

• Vapor Pressure: 0.000972mmHg at 25°C
• Boiling Point: 293.6°C at 760 mmHg
• Flash Point: 140.1°C
• PSA: 40.46000
• Density: 1.094g/cm³
• LogP: 2.22260
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 122

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C=C1O)O)CC

Technology Process of 4,6-Diethylresorcinol

There total 5 articles about 4,6-Diethylresorcinol 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: 71.0%

1-(5-acetyl-2,4-dihydroxyphenyl)-1-ethanone (2161-85-5) → 4,6-diethylresorcinol (52959-32-7)

Guidance literature:

With hydrogenchloride; zinc; In ethanol; water; at 0 - 20 ℃; for 1.5h;

DOI:10.1002/cplu.201900670

Reference yield: 17.0%

2',4'-dihydroxy-4-acetophenone (89-84-9) → 4-ethyl-1,3-benzenediol (2896-60-8) + 4,6-diethylresorcinol (52959-32-7) + recorcinol (108-46-3)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate; In water; at 100 ℃; Product distribution;

Reference yield:

→ 4,6-diethylresorcinol (52959-32-7)

Guidance literature:

With hydrogenchloride; amalgamated zinc;

upstream raw materials:

1-(5-acetyl-2,4-dihydroxyphenyl)-1-ethanone

2',4'-dihydroxy-4-acetophenone

acetic acid

hydrogenchloride

Downstream raw materials:

4,6-diethyl-cyclohexane-1,3-dione