3-(3,5-Dimethylphenoxy)-2-methylpropane-1,2-diol

Base Information

• Chemical Name: 3-(3,5-Dimethylphenoxy)-2-methylpropane-1,2-diol
• CAS No.: 64049-47-4
• Molecular Formula: C₁₂H₁₈O₃
• Molecular Weight: 210.273
• DSSTox Substance ID: DTXSID60276163
• Nikkaji Number: J90.324H
• Mol file: 64049-47-4.mol

Synonyms:3-(3,5-dimethylphenoxy)-2-methylpropane-1,2-diol;2-Methyl-3-(3,5-dimethylphenoxy)-1,2-propanediol;BRN 3250654;1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)-;DTXSID60276163;4-06-00-03144 (Beilstein Handbook Reference)

Chemical Property of 3-(3,5-Dimethylphenoxy)-2-methylpropane-1,2-diol

Chemical Property:

• Vapor Pressure: 2.41E-06mmHg at 25°C
• Melting Point: 77 °C(Solv: ethyl ether (60-29-7))
• Boiling Point: 376.7°C at 760 mmHg
• PKA: 13.62±0.29(Predicted)
• Flash Point: 181.6°C
• PSA: 49.69000
• Density: 1.103g/cm³
• LogP: 1.42550
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 210.125594432
• Heavy Atom Count: 15
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

2-METHYL-3-(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(=C1)OCC(C)(CO)O)C

Technology Process of 3-(3,5-Dimethylphenoxy)-2-methylpropane-1,2-diol

There total 2 articles about 3-(3,5-Dimethylphenoxy)-2-methylpropane-1,2-diol 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:

→ 3-(3,5-dimethyl-phenoxy)-2-methyl-propane-1,2-diol (64049-47-4)

Guidance literature:

With dihydrogen peroxide; acetic acid; Erwaermen des Reaktionsgemisches mit wss.-aethanol. H₂SO₄;

Reference yield:

3-chloro-2-methyl-propane-1,2-diol (597-33-1) + 3,5-Dimethylphenol (108-68-9,50356-23-5) → 3-(3,5-dimethyl-phenoxy)-2-methyl-propane-1,2-diol (64049-47-4)

Guidance literature:

With ethanol; potassium carbonate;

upstream raw materials:

3-chloro-2-methyl-propane-1,2-diol

3,5-Dimethylphenol

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