Ethyl 2-hydroxy-5-methylbenzoate

Base Information

• Chemical Name: Ethyl 2-hydroxy-5-methylbenzoate
• CAS No.: 34265-58-2
• Deprecated CAS: 53812-43-4
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918290000
• European Community (EC) Number: 251-903-3
• DSSTox Substance ID: DTXSID7067827
• Nikkaji Number: J287.888G
• Wikidata: Q72475246
• Mol file: 34265-58-2.mol

Synonyms:Ethyl 2-hydroxy-5-methylbenzoate;34265-58-2;Ethyl 5-methylsalicylate;Benzoic acid, 2-hydroxy-5-methyl-, ethyl ester;EINECS 251-903-3;ETHYL 2-HYDROXY-5-METHYL-BENZOATE;SCHEMBL1641611;Ethyl2-hydroxy-5-methylbenzoate;DTXSID7067827;Ethyl 5-methylsalicylate, 98%;MFCD00192161;AKOS009166177;AS-77429;2-Hydroxy-5-methylbenzoic acid ethyl ester;2-hydroxy-5-methyl-benzoic acid ethyl ester;CS-0361454;FT-0688559;E85435;J-019538

Chemical Property of Ethyl 2-hydroxy-5-methylbenzoate

Chemical Property:

• Vapor Pressure: 0.00778mmHg at 25°C
• Melting Point: 2℃
• Refractive Index: n20/D 1.522(lit.)
• Boiling Point: 259.9 °C at 760 mmHg
• PKA: 10.23±0.18(Predicted)
• Flash Point: 104.9 °C
• PSA: 46.53000
• Density: 1.136 g/cm³
• LogP: 1.87730
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

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

Ethyl 5-methylsalicylate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-20/21/22-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Ethyl 2-hydroxy-5-methylbenzoate

There total 8 articles about Ethyl 2-hydroxy-5-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: 84.0%

5-Methylsalicylic acid (89-56-5) → ethyl 5-methylsalicylate (34265-58-2)

Guidance literature:

Reference yield: 73.0%

ethyl 3-methylbenzoate (120-33-2) → ethyl 5-methylsalicylate (34265-58-2)

Guidance literature:

With dipotassium peroxodisulfate; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; trifluoroacetic acid; trifluoroacetic anhydride; at 78 ℃; for 10h;

DOI:10.1021/ol301104n

Reference yield: 70.6%

2-methylpropenal (78-85-3,25120-30-3) + ethyl (2-chloroaceto)acetate (638-07-3) → ethyl 5-methylsalicylate (34265-58-2)

Guidance literature:

With sodium acetate; In acetic acid;

upstream raw materials:

ethanol

5-Methylsalicylic acid

2-Chloro-6-methyl-3-oxo-hept-6-enoic acid ethyl ester

sodium 4-methylphenoxide

Downstream raw materials:

ethyl 2-ethoxy-5-methylbenzoate

2-hydroxy-5-methylbenzamide

2-(4,6-diphenyl-[1,3,5]triazin-2-yl)-4-methyl-phenol

2-hydroxy-5-methyl-3-nitro-benzoic acid ethyl ester