3-(4-Chloro-3,5-dimethylphenoxy)-1,2-propanediol

Base Information

• Chemical Name: 3-(4-Chloro-3,5-dimethylphenoxy)-1,2-propanediol
• CAS No.: 63834-67-3
• Molecular Formula: C₁₁H₁₅ClO₃
• Molecular Weight: 230.691
• DSSTox Substance ID: DTXSID90980463
• Nikkaji Number: J90.883E
• ChEMBL ID: CHEMBL3277198
• Mol file: 63834-67-3.mol

Synonyms:63834-67-3;BRN 3286039;3-(4-chloro-3,5-dimethylphenoxy)propane-1,2-diol;3-(4-Chloro-3,5-dimethylphenoxy)-1,2-propanediol;1,2-Propanediol, 3-(4-chloro-3,5-dimethylphenoxy)-;4-06-00-03153 (Beilstein Handbook Reference);CHEMBL3277198;DTXSID90980463;AKOS017547877

Chemical Property of 3-(4-Chloro-3,5-dimethylphenoxy)-1,2-propanediol

Chemical Property:

• Vapor Pressure: 3.16E-07mmHg at 25°C
• Boiling Point: 403.2°Cat760mmHg
• Flash Point: 197.7°C
• PSA: 49.69000
• Density: 1.238g/cm³
• LogP: 1.68880
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 230.0709720
• Heavy Atom Count: 15
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

3-(4-CHLORO-3,5-DIMETHYLPHENOXY)-1,2-PROPANEDIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1Cl)C)OCC(CO)O

Technology Process of 3-(4-Chloro-3,5-dimethylphenoxy)-1,2-propanediol

There total 1 articles about 3-(4-Chloro-3,5-dimethylphenoxy)-1,2-propanediol 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:

4-Chloro-3,5-dimethylphenol (88-04-0) + 3-monochloro-1,2-propanediol (96-24-2) → 3-(4-chloro-3,5-dimethyl-phenoxy)-propane-1,2-diol (63834-67-3)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01128a019

upstream raw materials:

4-Chloro-3,5-dimethylphenol

3-monochloro-1,2-propanediol