2-Hydroxy-6-isopropyl-3-methylbenzoic acid

Base Information

• Chemical Name: 2-Hydroxy-6-isopropyl-3-methylbenzoic acid
• CAS No.: 4389-53-1
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• Hs Code.: 2918290000
• European Community (EC) Number: 623-010-2
• DSSTox Substance ID: DTXSID00195980
• Nikkaji Number: J85.303H
• Wikidata: Q83069059
• Mol file: 4389-53-1.mol

Synonyms:2-Hydroxy-6-isopropyl-3-methylbenzoic acid;4389-53-1;o-Carvacrotic acid;o-Carvacrotinic acid;2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid;2-Hydroxy-p-cymene-3-carboxylic acid;6-Isopropyl-3-methylsalicylic acid;BRN 2615957;2-Hydroxy-3-methyl-6-isopropylbenzoic acid;2-Hydroxy-3-methyl-6-(1-methylethyl)benzoic acid;Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)-;2-hydroxy-3-methyl-6-(propan-2-yl)benzoic acid;4-10-00-00738 (Beilstein Handbook Reference);Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)- (9CI);SCHEMBL504113;DTXSID00195980;3-methyl-6-isopropylsalicylic acid;AKOS009158730;LS-58920;FT-0635267;p-CYMENE-3-CARBOXYLIC ACID, 2-HYDROXY-;3-methyl-2-oxidanyl-6-propan-2-yl-benzoic acid;2-Hydroxy-6-isopropyl-3-methylbenzoic acid, 99%;A826451

Chemical Property of 2-Hydroxy-6-isopropyl-3-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 0.000111mmHg at 25°C
• Melting Point: 143-145 °C(lit.)
• Refractive Index: 1.5087 (estimate)
• Boiling Point: 323°Cat760mmHg
• Flash Point: 163.4°C
• PSA: 57.53000
• Density: 1.164g/cm³
• LogP: 2.52220
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

98%min ^*data from raw suppliers

2-Hydroxy-6-isopropyl-3-methylbenzoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydroxy-6-isopropyl-3-methylbenzoic acid

There total 5 articles about 2-Hydroxy-6-isopropyl-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:

carvacrol (499-75-2) + carbon dioxide (124-38-9,18923-20-1) → 3-methyl-6-(2-propyl)-2-hydroxybenzoic acid (4389-53-1)

Guidance literature:

With sodium; Yield given. Multistep reaction; 1) xylene, 5h, 2) xylene, 30h, 140 deg C;

DOI:10.1021/jo00014a037

Reference yield:

→ 3-methyl-6-(2-propyl)-2-hydroxybenzoic acid (4389-53-1)

Guidance literature:

With potassium permanganate;

Reference yield:

carvacrol (499-75-2) → 3-methyl-6-(2-propyl)-2-hydroxybenzoic acid (4389-53-1)

Guidance literature:

With sodium; xylene; anschliessendes Erhitzen mit CO₂;

upstream raw materials:

carvacrol

carbon dioxide

carbonic-acid

Downstream raw materials:

N-(2-Chloro-4-Nitro-Phenyl)-2-Hydroxy-6-Isopropyl-3-Methyl-Benzamide

2-Hydroxy methyl-6-methyl-3-(1-methylethyl)phenol

Tri-3-methyl-6-(2-propyl)salicylide

di-o-carvacrotide

Refernces