2-Hydroxy-3-(2-methylphenoxy)propanoic acid

Base Information

• Chemical Name: 2-Hydroxy-3-(2-methylphenoxy)propanoic acid
• CAS No.: 26114-38-5
• Molecular Formula: C10H12O4
• Molecular Weight: 196.2
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID50406816
• Nikkaji Number: J933.930B
• Mol file: 26114-38-5.mol

Synonyms:2-hydroxy-3-(2-methylphenoxy)propanoic acid;26114-38-5;CBI-BB ZERO/006283;2-Hydroxy-3-(o-tolyloxy)propanoic acid;Propanoic acid, 2-hydroxy-3-(2-methylphenoxy)-;3-(2-methylphenoxy)lactic acid;SCHEMBL23973559;DTXSID50406816;JAZQODDDVRQQGL-UHFFFAOYSA-N;MFCD05258289;AKOS003349114;AKOS016347502;2-Hydroxy-3-(o-tolyloxy)propanoicacid;LS-08371;FT-0757295;2-Hydroxy-3-(2-methylphenoxy)propanoic acid, AldrichCPR

Chemical Property of 2-Hydroxy-3-(2-methylphenoxy)propanoic acid

Chemical Property:

• Vapor Pressure: 2.88E-05mmHg at 25°C
• Melting Point: 146-147 °C
• Boiling Point: 342.5°C at 760 mmHg
• PKA: 3.36±0.11(Predicted)
• Flash Point: 135.4°C
• PSA: 66.76000
• Density: 1.263g/cm³
• LogP: 0.81930
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

98% ^*data from raw suppliers

2-Hydroxy-3-(2-methylphenoxy)propanoic acid ^*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)O)O

Technology Process of 2-Hydroxy-3-(2-methylphenoxy)propanoic acid

There total 4 articles about 2-Hydroxy-3-(2-methylphenoxy)propanoic acid 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: 75.0%

3-chloro-2-hydroxypropanoic acid (1713-85-5) + sodium o-cresolate (4549-72-8) → rac-2-hydroxy-3-(2-methylphenoxy)propanoic acid (26114-38-5)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; Reflux;

DOI:10.1134/S1070428014040150

Reference yield:

ortho-cresol (95-48-7,77504-84-8) → rac-2-hydroxy-3-(2-methylphenoxy)propanoic acid (26114-38-5)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01168a091

Reference yield:

sodium o-cresolate (4549-72-8) → rac-2-hydroxy-3-(2-methylphenoxy)propanoic acid (26114-38-5)

Guidance literature:

Isolierung aus dem Harn von Menschen und Kaninchen nach intravenoeser Verabreichung von (+)-1-o-Tolyloxy-propandiol-(2.3);

DOI:10.1038/162257b0

upstream raw materials:

sodium o-cresolate

ortho-cresol

3-chloro-2-hydroxypropanoic acid

Refernces

• 1、 Riley. "". . p. 5712. Retrieved 1950.