2-(3,5-Dimethylphenoxy)ethanol

Base Information

• Chemical Name: 2-(3,5-Dimethylphenoxy)ethanol
• CAS No.: 5960-05-4
• Molecular Formula: C10H14O2
• Molecular Weight: 166.22
• NSC Number: 190717
• DSSTox Substance ID: DTXSID60307320
• Wikidata: Q82054692
• Mol file: 5960-05-4.mol

Synonyms:2-(3,5-dimethylphenoxy)ethanol;5960-05-4;Ethanol, 2-(3,5-dimethylphenoxy)-;2-(3,5-DIMETHYLPHENOXY)-ETHANOL;Ethanol,2-(3,5-dimethylphenoxy)-;NSC190717;SCHEMBL10359827;DTXSID60307320;AKOS000296360;NSC-190717;2-(3,5-DIMETHYLPHENOXY)ETHAN-1-OL;E97778

Chemical Property of 2-(3,5-Dimethylphenoxy)ethanol

Chemical Property:

• Vapor Pressure: 0.00107mmHg at 25°C
• Melting Point: 41 °C
• Refractive Index: 1.521
• Boiling Point: 288.7 °C at 760 mmHg
• PKA: 14.30±0.10(Predicted)
• Flash Point: 125.7 °C
• PSA: 29.46000
• Density: 1.038 g/cm³
• LogP: 1.67450
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

2-(3,5-DIMETHYLPHENOXY)ETHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3,5-Dimethylphenoxy)ethanol

There total 6 articles about 2-(3,5-Dimethylphenoxy)ethanol 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: 99.0%

5-bromo-1,3-xylene (556-96-7) + ethylene glycol (107-21-1) → 2-(3,5-dimethylphenoxy)ethanol (5960-05-4)

Guidance literature:

With potassium carbonate; copper dichloride; at 130 ℃; for 20h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c4ob00649f

Reference yield: 78.0%

3,5-dimethyl-2-cyclohexen-1-one (1123-09-7) + ethylene glycol (107-21-1) → 2-(3,5-dimethylphenoxy)ethanol (5960-05-4)

Guidance literature:

With ammonium cerium(IV) nitrate; iodine; In acetonitrile; for 10h; Heating;

DOI:10.1246/cl.1991.1921

Reference yield: 77.0%

2-[2-(3,5-dimethyl-phenoxy)-ethoxy]-tetrahydro-pyran (445283-29-4) → 2-(3,5-dimethylphenoxy)ethanol (5960-05-4)

Guidance literature:

With methanol; pyridinium p-toluenesulfonate; at 20 ℃; for 16h;

DOI:10.1021/jm0201518

upstream raw materials:

2-(3,5-dimethylphenoxy)acetic acid

3,5-Dimethylphenol

2-chloro-ethanol

3,5-dimethyl-2-cyclohexen-1-one

Downstream raw materials:

4,6-dimethylbenzofuran-3(2H)-one

3,5-Dimethylphenol

2-(3,5-dimethylphenoxy)acetic acid

3,5-dimethylphenoxyethyl 4-toluenesulfonate

Refernces

• 1、 Elhalem, Eleonora,Bailey, Brian N.,Docampo, Roberto,Ujváry, István,Szajnman, Sergio H.,Rodriguez, Juan B.. "Design, synthesis, and biological evaluation of aryloxyethyl thiocyanate derivatives against Trypanosoma cruzi". . p. 3984 - 3999. Retrieved 2007/10/03.