548-51-6

Basic information

• Product Name: 2-HYDROXY-3-ISOPROPYL-6-METHYLBENZOIC ACID
• Synonyms: 2-methyl-5-isopropylsalicyclicacid;2-thymolcarboxylicacid;3-hydroxy-p-cymene-2-carboxylicaci;3-hydroxy-p-cymene-2-carboxylicacid;o-thymolcarboxylicacid;o-thymoticacid;2-HYDROXY-3-ISOPROPYL-6-METHYLBENZOIC ACID;3-ISOPROPYL-6-METHYLSALICYLIC ACID
• CAS NO: 548-51-6
• Molecular Formula: C₁₁H₁₄O₃
• Molecular Weight: 194.23
• EINECS: 208-949-4
• Mol File: 548-51-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 127-129 °C(lit.)
• Boiling Point: 290.67°C (rough estimate)
• Flash Point: 159.3°C
• Appearance: /
• Density: 1.1130 (rough estimate)
• Vapor Pressure: 0.000174mmHg at 25°C
• Refractive Index: 1.5087 (estimate)
• PKA: 2.95±0.25(Predicted)
• Water Solubility: >0.5g/L(temperature not stated)
• Merck: 13,9485
• CAS DataBase Reference: 2-HYDROXY-3-ISOPROPYL-6-METHYLBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-HYDROXY-3-ISOPROPYL-6-METHYLBENZOIC ACID(548-51-6)
• EPA Substance Registry System: 2-HYDROXY-3-ISOPROPYL-6-METHYLBENZOIC ACID(548-51-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• RTECS: GZ6002990
• HazardClass: IRRITANT
• Hazardous Substances Data: 548-51-6(Hazardous Substances Data)

Usage

Uses

2-Hydroxy-3-isopropyl-6-methylbenzoic acid is suitable for nuclear reactor applications.

General Description

2-Hydroxy-3-isopropyl-6-methylbenzoic acid is also referred as o-thymotic acid. Analgesic and antistress evaluation of o-thymotic acid in rat has been reported.

InChI:InChI=1/C11H14O3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h4-6,12H,1-3H3,(H,13,14)

Upstream product

• 124-38-9 carbon dioxide 
• 89-83-8 thymol 
• 112404-79-2 thymol 2-tetrahydropyranyl ether 
• 463-79-6 carbonic-acid 
• 56-23-5 tetrachloromethane 
• 108-88-3 toluene 
• 112404-71-4 (2-isopropyl-5-methylphenyl) methoxymethyl ether 
• 50397-25-6 di-o-thymotide 
• 7664-93-9 sulfuric acid 
• 7722-84-1 dihydrogen peroxide 

Downstream Products

• 101575-05-7 2-hydroxy-3-isopropyl-6-methyl-5-phenylazo-benzoic acid 
• 142350-18-3 3-bromo-6-hydroxy-5-isopropyl-2-methyl-benzoic acid 
• 54638-88-9 2-hydroxy-3-isopropyl-6-methyl-5-nitro-benzoic acid 
• 53407-85-5 benzyl thymoate 
• 112404-81-6 benzyl-O-benzyl thymoate 
• 6547-90-6 thymotic acid methyl ester 
• 112404-63-4 O-benzylthymotic acid 
• 112404-43-0 O-benzylthymoyl chloride 
• 112404-55-4 2-Benzyloxy-3-isopropyl-6-methyl-benzoic acid 2-chlorocarbonyl-6-ethyl-3-methyl-phenyl ester 
• 112404-52-1 C₂₈H₃₀O₅ 
• 112404-54-3 2-Benzyloxy-3-isopropyl-6-methyl-benzoic acid 2-chlorocarbonyl-6-isopropyl-3-methyl-phenyl ester 
• 112404-51-0 C₂₉H₃₂O₅ 
• 112404-48-5 C₃₆H₃₈O₅ 
• 112404-46-3 C₃₁H₃₄O₇ 

Relevant articles and documents

Improved Preparation of the Clathrate Host Compound Tri-o-thymotide and Related Trisalicylide Derivatives

In order to improve the relatively low yield (ca. 35percent) previously observed in the synthesis of tri-o-thymotide (TOT, 1) from o-thymotic acid (2), the cyclodehydration was studied using a variety of conditions.The low yield is due to the formation of di-o-thymotide (DOT, 3), previously reported, and at least three other products (4-6), which apparently result from the acid-catalyzed decarboxylation of 2 and subsequent condensation with thymol (7).Using pyridine as a solvent, side-product formation is inhibited.Under appropriate conditions, namely, neat POCl3 at 50 deg C, the yield of 1 is 93percent.Other salicylic acid derivatives also give high yields of the corresponding "trimers" under these conditions, thus providing a general, improved preparation of a family of potential clathrate host substances.