4-Hydroxy-3-methylbenzoic acid

Base Information

• Chemical Name: 4-Hydroxy-3-methylbenzoic acid
• CAS No.: 499-76-3
• Molecular Formula: C8H8O3
• Molecular Weight: 152.15
• Hs Code.: 29182900
• European Community (EC) Number: 207-890-1
• UNII: BFE7E9FED4
• DSSTox Substance ID: DTXSID50198148
• Nikkaji Number: J182.249G
• Wikidata: Q27158427
• Metabolomics Workbench ID: 38550
• Mol file: 499-76-3.mol

Synonyms:4-Hydroxy-3-methylbenzoic acid;499-76-3;4-Hydroxy-m-toluic acid;4,3-Cresotic acid;3-methyl-4-hydroxybenzoic acid;4-Hydroxy-3-methyl-benzoic acid;Benzoic acid, 4-hydroxy-3-methyl-;BFE7E9FED4;4-Hydroxy-3-methylbenzoate;EINECS 207-890-1;MFCD00270105;4-Hydroxy-3-MethylbenzoicAcid;4-Hydroxy-m-toluate;UNII-BFE7E9FED4;3-Methyl-4-hydroxybenzoate;4-hydroxy-3-methyl-Benzoate;SCHEMBL172420;4-hydroxy-3-methyl benzoic acid;CHEBI:85239;DTXSID50198148;s6297;TD1029;AKOS000269000;4-Hydroxy-3-methylbenzoic acid, 97%;AC-2773;CS-W002587;DS-1151;FS-1545;HY-W002587;SY002872;A7425;AM20060888;FT-0632234;H1319;C21167;EN300-102449;J-515487;Q27158427;Z995149794

Chemical Property of 4-Hydroxy-3-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 6.26E-05mmHg at 25°C
• Melting Point: 173-177 °C
• Refractive Index: 1.599
• Boiling Point: 331.3 °C at 760 mmHg
• PKA: 4?+-.0.10(Predicted)
• Flash Point: 168.4 °C
• PSA: 57.53000
• Density: 1.304 g/cm³
• LogP: 1.39880
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.047344113
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

98% min ^*data from raw suppliers

4-Hydroxy-3-methylbenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; Xn
• Hazard Codes: Xn,Xi
• Statements: 22-37/38-41
• Safety Statements: 26-36/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Hydroxy-3-methylbenzoic acid

There total 30 articles about 4-Hydroxy-3-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: 82.0%

carbon dioxide (124-38-9,18923-20-1) + ortho-cresol (95-48-7,77504-84-8) → 4-hydroxy-3-methylbenzoic acid (499-76-3) + 3-methylsalicylic acid (83-40-9)

Guidance literature:

ortho-cresol; With Mesitol; sodium hydride; at 100 ℃; for 0.0833333h; Glovebox;

carbon dioxide; at 185 ℃; for 3h; under 760.051 Torr;

DOI:10.1002/chem.201601114

Reference yield: 58.0%

tetrachloromethane (56-23-5) + ortho-cresol (95-48-7,77504-84-8) → 4-hydroxy-3-methylbenzoic acid (499-76-3)

Guidance literature:

With copper; β‐cyclodextrin; In potassium hydroxide; at 80 ℃; for 15h;

DOI:10.1021/ja00313a035

Reference yield: 21.0%

tetrachloromethane (56-23-5) + ortho-cresol (95-48-7,77504-84-8) → 4-hydroxy-3-methylbenzoic acid (499-76-3) + 3-methylsalicylic acid (83-40-9)

Guidance literature:

With copper; In potassium hydroxide; at 80 ℃; for 15h;

DOI:10.1021/ja00313a035

upstream raw materials:

4-hydroxy-3-methyl-benzaldehyde

3-methyl-4-hydroxybenzophenone

4-bromo-3-methylbenzoic acid

4-amino 3-methylbenzoic acid

Downstream raw materials:

4-ethoxy-3-methyl-benzoic acid

4-acetoxy-3-methylbenzoic acid

4-(benzyloxy)-3-methylbenzoic Acid

carbon dioxide

Refernces

• 1、 -. "THERAPEUTIC COMPOUNDS". Page/Page column 57. . Retrieved 2010/11/27.
• 2、 Gaonkar, A. V.,Kirtany, J. K.. "Reimer-Thiemann reaction using carbon tetrachloride". . p. 800 - 801. Retrieved 2007/10/02.