2-Ethyl-6-hydroxybenzoic acid

Base Information

• Chemical Name: 2-Ethyl-6-hydroxybenzoic acid
• CAS No.: 59681-42-4
• Molecular Formula: C9H10O3
• Molecular Weight: 166.1739
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID60501068
• Nikkaji Number: J1.396.265K
• Wikidata: Q82353180

Synonyms:2-ethyl-6-hydroxybenzoic acid;59681-42-4;6-Ethylsalicylic acid;2-ethyl-6-hydroxybenzoicacid;SCHEMBL3954149;DTXSID60501068;MB24048;A8377;CS-0104570;FT-0705306;D76421

Chemical Property of 2-Ethyl-6-hydroxybenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 136.5-137.5 °C
• Boiling Point: 301.868°C at 760 mmHg
• PKA: 2.87±0.25(Predicted)
• Flash Point: 150.592°C
• PSA: 57.53000
• Density: 1.247g/cm³
• LogP: 1.65280
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• 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

2-ethyl-6-hydroxybenzoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=CC=C1)O)C(=O)O

Technology Process of 2-Ethyl-6-hydroxybenzoic acid

There total 5 articles about 2-Ethyl-6-hydroxybenzoic 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:

(+/-)-(4-carboxy-5-hydroxy-3t-methyl-1-oxo-indan-2r-yl)-acetic acid (603-24-7,38044-13-2) → 2-ethyl-6-hydroxybenzoic acid (59681-42-4)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01128a018

Reference yield:

2-ethylbenzoic acid (612-19-1) → 2-ethyl-6-hydroxybenzoic acid (59681-42-4)

Guidance literature:

Multistep reaction; (i) Br₂, (ii) KOH;

Reference yield:

o-ethylbenzonitrile (34136-59-9) → 2-ethyl-6-hydroxybenzoic acid (59681-42-4)

Guidance literature:

Multi-step reaction with 2 steps

1: (saponification)

2: (i) Br₂, (ii) KOH

upstream raw materials:

(+/-)-(4-carboxy-5-hydroxy-3t-methyl-1-oxo-indan-2r-yl)-acetic acid

2-ethylbenzoic acid

o-ethylbenzonitrile

ortho-ethylaniline

Downstream raw materials:

methyl 2-ethyl-6-hydroxybenzoate

4-ethylbenzo-3(2H)-furanone

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