Methyl 2-hydroxy-3-methylbenzoate

Base Information

• Chemical Name: Methyl 2-hydroxy-3-methylbenzoate
• CAS No.: 23287-26-5
• Deprecated CAS: 50922-47-9
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 38220090
• European Community (EC) Number: 245-557-2
• NSC Number: 165638
• UNII: 6N2H1LOP9K
• DSSTox Substance ID: DTXSID1066869
• Nikkaji Number: J76.335G
• Wikidata: Q72491363
• ChEMBL ID: CHEMBL2260708
• Mol file: 23287-26-5.mol

Synonyms:Methyl 2-hydroxy-3-methylbenzoate;23287-26-5;METHYL 3-METHYLSALICYLATE;Methyl o-cresotinate;Benzoic acid, 2-hydroxy-3-methyl-, methyl ester;Levegal PT;2,3-Cresotic acid, methyl ester;2-Hydroxy-3-methylbenzoic acid methyl ester;EINECS 245-557-2;NSC 165638;BRN 2413202;6N2H1LOP9K;MFCD00020051;NSC-165638;4-10-00-00602 (Beilstein Handbook Reference);Methyl o-cresotate;3-methylsalicylic acid methyl ester;Methyl 2-Hydroxy-3-Methyl-Benzoate;UNII-6N2H1LOP9K;o-cresotic acid methyl ester;2-(2-Aminobenzyloxy)aniline;SCHEMBL334485;CHEMBL2260708;DTXSID1066869;3-methylsalicyclic acid methyl ester;NSC165638;AKOS003297656;AM80985;AS-67573;LS-37622;SY061790;CS-0153704;FT-0616182;2-hydroxy-3-methyl-benzoic acid methyl ester;EN300-136232;F19979;Methyl ester of 2-hydroxy-3-methylbenzoic acid;A816657;METHYL SALICYLATE IMPURITY I [EP IMPURITY];W-107410

Chemical Property of Methyl 2-hydroxy-3-methylbenzoate

Chemical Property:

• Vapor Pressure: 0.0294mmHg at 25°C
• Melting Point: 28-30 °C
• Refractive Index: 1.542
• Boiling Point: 237.3 °C at 760 mmHg
• PKA: 10.10±0.10(Predicted)
• Flash Point: 95.5 °C
• PSA: 46.53000
• Density: 1.169 g/cm³
• LogP: 1.48720
• Storage Temp.: Refrigerator, under inert atmosphere
• Sensitive.: Hygroscopic
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in ethanol, fixed Oils, Propylene Glycol. Insoluble in water.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-Hydroxy-3-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C(=O)OC)O
• Uses: Methyl 2-hydroxy-3-methylbenzoate, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used as an important organic intermediate. Some other applications include it is used to produce other chemicals. For example, it is used to produce 2-(2-Hydroxy-3-methyl-phenyl)-propan-2-ol. The reaction occurs with reagent Tetrahydrofuran.

Technology Process of Methyl 2-hydroxy-3-methylbenzoate

There total 22 articles about Methyl 2-hydroxy-3-methylbenzoate 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: 100.0%

3-methylsalicylic acid (83-40-9) + diazomethyl-trimethyl-silane (18107-18-1) → 3-methylsalicylic acid methyl ester (23287-26-5)

Guidance literature:

In methanol; hexane; benzene; at 23 ℃; for 2h;

DOI:10.1021/jo0100291

Reference yield: 97.0%

methanol (67-56-1) + 3-methylsalicylic acid (83-40-9) → 3-methylsalicylic acid methyl ester (23287-26-5)

Guidance literature:

With sulfuric acid; for 48h; Inert atmosphere; Reflux;

DOI:10.1016/j.tetasy.2010.09.010

Reference yield: 89.0%

3-methylsalicylic acid (83-40-9) + O-Methyl-N,N'-diisopropylisourea (54648-79-2) → 3-methylsalicylic acid methyl ester (23287-26-5)

Guidance literature:

In tetrahydrofuran; at 130 ℃; for 0.0833333h; Irradiation;

DOI:10.1021/ol0263705

upstream raw materials:

diazomethane

3-methylsalicylic acid

methanol

2-hydroxy-3-methyl-benzoyl chloride

Downstream raw materials:

6'-hydroxy-5'-methyl-2,3'-carbonyl-di-benzoic acid

S₂₉

2-Hydroxy-α,α,3-trimethylbenzyl alcohol

γ-oxy-γ-(2-oxy-3-methyl-phenyl)-pentane