2-(4-Chloro-3,5-dimethylphenoxy)ethanol

Base Information

• Chemical Name: 2-(4-Chloro-3,5-dimethylphenoxy)ethanol
• CAS No.: 5825-79-6
• Molecular Formula: C10H13ClO2
• Molecular Weight: 200.662
• European Community (EC) Number: 653-718-7
• NSC Number: 97236
• UNII: H4W89QL3S4
• DSSTox Substance ID: DTXSID20206981
• Nikkaji Number: J53.973B
• Wikidata: Q83080878
• Mol file: 5825-79-6.mol

Synonyms:2-(4-Chloro-3,5-dimethylphenoxy)ethanol;5825-79-6;2-(4-Chloro-3,5-xylyloxy)ethanol;4-Chloro-3,5-dimethylphenoxyethanol;Ethanol, 2-((4-chloro-3,5-xylyl)oxy)-;Experimental chemotherapeutant 1182;4-(4-Chloro-3,5-xylyloxy)ethanol;2-(4-Chloro-3,5-xylyloxy)-ethanol;Ethanol, 2-(4-chloro-3,5-dimethylphenoxy)-;NSC 97236;BRN 2557742;AI3-08297;H4W89QL3S4;NSC-97236;(4-Chloro-3,5-dimethylphenoxy)ethanol;2-(4'-CHLORO-3',5'-DIMETHYL- PHENOXY) ETHANOL;Ethanol, 2-[(4-chloro-3,5-xylyl)oxy]-;NSC97236;2-(4'-CHLORO-3',5'-DIMETHYL-PHENOXY)ETHANOL;Ethanol,5-xylyl)oxy]-;2-(4-chloro-3,5-dimethylphenoxy)ethan-1-ol;UNII-H4W89QL3S4;SCHEMBL77567;WLN: Q2OR DG C1 E1;DTXSID20206981;Experimental chemotherapeutant-1182;MFCD00020594;AKOS000296361;LS-66619;TS-02848

Chemical Property of 2-(4-Chloro-3,5-dimethylphenoxy)ethanol

Chemical Property:

• Vapor Pressure: 0.000116mmHg at 25°C
• Boiling Point: 322.4°Cat760mmHg
• Flash Point: 148.8°C
• PSA: 29.46000
• Density: 1.166g/cm³
• LogP: 2.32790
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.0604073
• Heavy Atom Count: 13
• Complexity: 140

Purity/Quality:

99%, ^*data from raw suppliers

2-(4-Chloro-3,5-dimethylphenoxy)ethanol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1Cl)C)OCCO

Technology Process of 2-(4-Chloro-3,5-dimethylphenoxy)ethanol

There total 2 articles about 2-(4-Chloro-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:

2-chloro-ethanol (107-07-3) → 2-(4-chloro-3,5-dimethyl-phenoxy)-ethanol (5825-79-6)

Guidance literature:

With water;

Reference yield:

→ 2-(4-chloro-3,5-dimethyl-phenoxy)-ethanol (5825-79-6)

Guidance literature:

4-Chlor-3,5-dimethyl-phenol, 1.5 Mol Ethylenchlorhydrin, 1.5 Mol wss. NaOH, 105grad-110grad;

Reference yield: 92.0%

2-(4-chloro-3,5-dimethyl-phenoxy)-ethanol (5825-79-6) → Sodium; (4-chloro-3,5-dimethyl-phenoxy)-acetate

Guidance literature:

With sodium hydroxide; oxygen; bismuth(III) nitrate; palladium on activated charcoal; at 90 ℃; for 1h;

upstream raw materials:

2-chloro-ethanol

Downstream raw materials:

1-[2-(4-chloro-3,5-dimethyl-phenoxy)-ethoxy]-2-methyl-2,5-dihydro-1H-phosphole 1-oxide

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