1-(2-Methylphenoxy)-2-propanol

Base Information

• Chemical Name: 1-(2-Methylphenoxy)-2-propanol
• CAS No.: 4317-61-7
• Molecular Formula: C10H14 O2
• Molecular Weight: 166.22
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID70962944
• Nikkaji Number: J51.011D
• ChEMBL ID: CHEMBL3277200
• Mol file: 4317-61-7.mol

Synonyms:1-(2-Methylphenoxy)-2-propanol;4317-61-7;1-(o-Tolyloxy)propan-2-ol;1-(2-methylphenoxy)propan-2-ol;1-(o-Tolyloxy)-2-propanol;BRN 2963088;2-Propanol, 1-(o-tolyloxy)-;4-06-00-01949 (Beilstein Handbook Reference);1-(2-Methylphenoxy)-2-propanol, AldrichCPR;o-Cresoxy-2-propanol;Propanol, 1(or 2)-phenoxy-;SCHEMBL3629149;CHEMBL3277200;DTXSID70962944;3-(2-methylphenoxy) propan-2-ol;2-Propanol, 1-(2-methylphenoxy)-;MFCD00191542;AKOS009159235;SB85115;LS-122681;CS-0323196;FT-0690623;M1063;D91438

Chemical Property of 1-(2-Methylphenoxy)-2-propanol

Chemical Property:

• Refractive Index: 1.5180-1.5210
• Boiling Point: 264.4°Cat760mmHg
• Flash Point: 108.6°C
• PSA: 29.46000
• Density: 1.034g/cm³
• LogP: 1.75460
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 125

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(2-Methylphenoxy)-2-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1OCC(C)O

Technology Process of 1-(2-Methylphenoxy)-2-propanol

There total 6 articles about 1-(2-Methylphenoxy)-2-propanol 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: 97.0%

o-Cresyl glycidyl ether (2210-79-9) → 1-(2-methylphenoxy)-2-propanol (4317-61-7)

Guidance literature:

With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; hydrogen; In toluene; at 75 ℃; for 24h; under 37503.8 Torr; regioselective reaction;

DOI:10.1021/acs.orglett.9b03995

Reference yield:

1-Chloro-2-propanol (127-00-4) + sodium o-cresolate (4549-72-8) → 1-(2-methylphenoxy)-2-propanol (4317-61-7)

Guidance literature:

With ethanol;

DOI:10.1021/ja01153a033

Reference yield:

ortho-cresol (95-48-7,77504-84-8) + methyloxirane (75-56-9,16033-71-9) → 1-(2-methylphenoxy)-2-propanol (4317-61-7)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01164a108

upstream raw materials:

1-Chloro-2-propanol

sodium o-cresolate

ortho-cresol

methyloxirane

Refernces

• 1、 Hirakawa, Hiroaki,Shiraishi, Yasuhiro,Sakamoto, Hirokatsu,Ichikawa, Satoshi,Tanaka, Shunsuke,Hirai, Takayuki. "Photocatalytic hydrogenolysis of epoxides using alcohols as reducing agents on TiO2 loaded with Pt nanoparticles". supporting information. p. 2294 - 2297. Retrieved 2015/02/05.