2-Methoxy-6-methylbenzoic acid

Base Information

• Chemical Name: 2-Methoxy-6-methylbenzoic acid
• CAS No.: 6161-65-5
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 2918990090
• European Community (EC) Number: 612-182-4
• NSC Number: 118167
• DSSTox Substance ID: DTXSID20297798
• Nikkaji Number: J152.401A
• Wikidata: Q63409673
• Mol file: 6161-65-5.mol

Synonyms:2-Methoxy-6-methylbenzoic acid;6161-65-5;2-Methyl-6-methoxybenzoic acid;Benzoic acid, 2-methoxy-6-methyl-;2-methoxy-6-methyl-benzoic acid;MFCD00463871;EC 612-182-4;2-Methoxy-6-methylbenzoicacid;NSC118167;6-Methyl-o-anisic acid;Methyl2-amino-5-nitrobenzoate;SCHEMBL426616;6-methyl-2-methoxybenzoic acid;DTXSID20297798;2-Methoxy-6-methylbenzoic acid #;CS-B1061;CL8055;STK390186;AKOS000109289;AM81196;FS-3241;MB01234;NSC 118167;NSC-118167;BP-10953;SY027948;2-Methoxy-6-methylbenzoic acid, AldrichCPR;A8537;BB 0244699;FT-0651158;M3208;EN300-206044;A833334;J-509842;Q63409673;Z1198153665

Chemical Property of 2-Methoxy-6-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 137-138 °C
• Refractive Index: 1.541
• Boiling Point: 295.837 °C at 760 mmHg
• PKA: 3.74±0.31(Predicted)
• Flash Point: 119.357 °C
• PSA: 46.53000
• Density: 1.168 g/cm³
• LogP: 1.70180
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.7
• 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:

99% ^*data from raw suppliers

2-Methoxy-6-methylbenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)OC)C(=O)O

Technology Process of 2-Methoxy-6-methylbenzoic acid

There total 41 articles about 2-Methoxy-6-methylbenzoic 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: 100.0%

ethyl 2-methoxy-6-methylbenzoate (6520-83-8) → 2-methoxy-6-methyl-benzoic acid (6161-65-5)

Guidance literature:

ethyl 2-methoxy-6-methylbenzoate; With sodium hydroxide; water; In ethanol; for 24h; Heating / reflux;

With hydrogenchloride; In water; pH=4;

Reference yield: 98.0%

2-methoxy-6-methyl-benzaldehyde (54884-55-8) → 2-methoxy-6-methyl-benzoic acid (6161-65-5)

Guidance literature:

With sodium chlorite; aminosulfonic acid; In tetrahydrofuran; water; for 1h; Ambient temperature;

DOI:10.1055/s-1987-28061

Reference yield: 79.0%

2-methoxy-6-methylbenzamide (139583-90-7) → 2-methoxy-6-methyl-benzoic acid (6161-65-5)

Guidance literature:

With nitrosylsulfuric acid; water; In dichloromethane; Ambient temperature;

DOI:10.1021/jo00035a030

upstream raw materials:

2-bromo-3-methylanisole

2-methoxy-6-methyl-benzaldehyde

methyl 2-methyl-6-methoxybenzoate

2-methoxy-6-methylbenzamide

Downstream raw materials:

2-hydroxy-6-methylbenzoic acid

2-methoxy-6-methylbenzoyl chloride

2-carboxy-3-methoxybenzene-1-acetic acid

2-methoxy-6,N-dimethylbenzamide