1,3-Bis(4-methylphenoxy)propan-2-ol

Base Information

• Chemical Name: 1,3-Bis(4-methylphenoxy)propan-2-ol
• CAS No.: 14569-62-1
• Molecular Formula: C17H20 O3
• Molecular Weight: 272.344
• NSC Number: 87021
• DSSTox Substance ID: DTXSID40932674
• Wikidata: Q82908402
• Mol file: 14569-62-1.mol

Synonyms:14569-62-1;1,3-bis(4-methylphenoxy)propan-2-ol;NSC87021;NCIOpen2_005135;Oprea1_135674;SCHEMBL14189198;DTXSID40932674;NSC-87021;1,3-bis(4-methylphenoxy)-propanol-2;1,3-BIS(4-METHYLPHENOXY)-2-PROPANOL

Chemical Property of 1,3-Bis(4-methylphenoxy)propan-2-ol

Chemical Property:

• Vapor Pressure: 3.75E-08mmHg at 25°C
• Boiling Point: 429.8°Cat760mmHg
• Flash Point: 213.8°C
• Density: 1.11g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 272.14124450
• Heavy Atom Count: 20
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OCC(COC2=CC=C(C=C2)C)O

Technology Process of 1,3-Bis(4-methylphenoxy)propan-2-ol

There total 8 articles about 1,3-Bis(4-methylphenoxy)propan-2-ol 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: 98.0%

p-cresol (106-44-5) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1,3-bis(4-methylphenoxy)propan-2-ol (14569-62-1)

Guidance literature:

With sodium hydroxide; In water; at 60 ℃; for 14h;

DOI:10.1007/s00044-017-1805-1

Reference yield:

p-cresol (106-44-5) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → cresyl-glicidyl ether (2186-24-5) + 1,3-Dichloro-2-propanol (96-23-1) + 1,3-bis(4-methylphenoxy)propan-2-ol (14569-62-1) + 1-chloro-3-(4-methylphenoxy)-2-propanol (4769-74-8)

Guidance literature:

With quartenary ammonium salt; sodium 4-methylphenoxide; at 71 - 100 ℃; Kinetics; Mechanism;

DOI:10.1002/(SICI)1097-4601(1997)29:1<73::AID-KIN9>3.0.CO;2-I

Reference yield:

p-cresol (106-44-5) → 1,3-bis(4-methylphenoxy)propan-2-ol (14569-62-1)

Guidance literature:

With 1,4-dioxane; sodium hydroxide; anschliessend Erhitzen mit (+-)-1-Chlor-2,3-epoxy-propan;

DOI:10.1021/ja01640a039

upstream raw materials:

p-cresol

1,3-Dichloro-2-propanol

sodium ethanolate

1-chloro-3-(4-methylphenoxy)-2-propanol

Downstream raw materials:

glyceryl phosphate

1,3-Bis-p-tolyloxyaceton