2138-48-9

Basic information

• Product Name: 3-ISOPROPYLCATECHOL
• Synonyms: 1,2-Benzenediol, 3-(1-methylethyl)-;3-(1-methylethyl)-1,2-benzenediol;3-(1-methylethyl)-2-benzenediol;3-isopropyl-pyrocatecho;3-Isopropylpyrocatechol;Pyrocatechol, 3-isopropyl-;3-ISOPROPYLCATECHOL;3-Isopropyl-1,2-benzenediol
• CAS NO: 2138-48-9
• Molecular Formula: C₉H₁₂O₂
• Molecular Weight: 152.19
• EINECS: 218-385-0
• Product Categories: Aromatic Phenols
• Mol File: 2138-48-9.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 265℃
• Flash Point: 126℃
• Appearance: /
• Density: 1.116
• Vapor Pressure: 0.00562mmHg at 25°C
• Refractive Index: 1.4464 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• PKA: 9.86±0.10(Predicted)
• CAS DataBase Reference: 3-ISOPROPYLCATECHOL(CAS DataBase Reference)
• NIST Chemistry Reference: 3-ISOPROPYLCATECHOL(2138-48-9)
• EPA Substance Registry System: 3-ISOPROPYLCATECHOL(2138-48-9)

Safety Data

• Hazardous Substances Data: 2138-48-9(Hazardous Substances Data)

Usage

Uses

3-Isopropylcatechol is an intermediate formed in the synthesis of Miltirone (M344500), an active component in Salvia miltiorrhiza that has been shown to inhibit the increase in the abundance of the mRNA for the α4 subunit of the GABAA receptor induced by ethanol withdrawal in cultured hippocampal neurons. A potential phytotherapeutic agent in the treatment of alcohol dependence.

Definition

ChEBI: A member of the class of catechols that is catechol in which one of the hydrogens that is ortho to a hydroxy group has been replaced by an isopropyl group.

InChI:InChI=1/C9H12O2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6,10-11H,1-2H3

Upstream product

• 21022-74-2 1-methoxy-2-hydroxy-3-isopropylbenzene 
• 1510866-99-5 3-isopropyl-2-(methoxymethoxy)phenol 
• 74931-59-2 1-isopropyl-2-methoxymethyloxybenzene 
• 88-69-7 2-(1-methylethyl)phenol 
• 120-80-9 benzene-1,2-diol 
• 67-63-0 isopropyl alcohol 
• 6342-70-7 3-methoxymethylsalicylate 
• 21022-76-4 2-(2-hydroxy-3-methoxy-phenyl)-propan-2-ol 
• 1666-00-8 2-hydroxyl-3-isopropyl-6-methylbenzaldehyde 
• 89-83-8 thymol 
• 153390-68-2 2-<2,3-dimethoxyphenyl>-propan-2-ol 
• 91-16-7 1,2-dimethoxybenzene 
• 71720-27-9 3-Isopropyl-veratrol 
• 67372-96-7 3-isopropylsalicylaldehyde 

Downstream Products

• 27210-57-7 miltirone 
• 201166-22-5 2,2-dimethyl-4-(1-methylethyl)-1,3-benzodioxole 
• 1158715-53-7 C₁₃H₁₈O₅ 
• 119319-09-4 C₃₅H₆₀O₈ 
• 119319-61-8 2-{2-[2-[2-(2-Hydroxy-ethoxy)-ethoxy]-3-isopropyl-5-(1,1,3,3-tetramethyl-butyl)-phenoxy]-ethoxy}-ethanol 
• 83569-79-3 2,6-dimethyl-2,3-epoxy-3-isopropenyl-9-(3,4-dimethoxy-5-isopropylphenyl)-trans-6-nonene 
• 83569-80-6 2,6-dimethyl-3-isopropylidene-9-(3,4-dimethoxy-5-isopropylphenyl)-trans-6-nonen-2-ol 
• 83569-78-2 2-chloro-2,6-dimethyl-9-(3,4-dimethoxy-5-isopropylphenyl)-trans-6-nonen-3-one 
• 83569-72-6 3-(3-Isopropyl-4,5-dimethoxy-phenyl)-propionic acid methyl ester 
• 83569-77-1 2-methyl-5-(3,4-dimethoxy-5-isopropylphenyl)-1-penten-3-ol 
• 83569-71-5 3-(3-Isopropyl-4,5-dimethoxy-phenyl)-propionic acid 
• 83569-76-0 3-(3,4-dimethoxy-5-isopropylphenyl)propanal 
• 83569-70-4 3-(3,4-dimethoxy-5-isopropylphenyl)propanol 
• 83569-75-9 1,2-dimethoxy-3-isopropyl-5-allylbenzene 

Relevant articles and documents

Commercial manufacturing of propofol: Simplifying the isolation process and control on related substances

A commercially viable manufacturing process for propofol (1) is described. The process avoids acid-base neutralization events during isolation of intermediate, 2,6-di-isopropylbenzoic acid (3) and crude propofol, and thus simplifies the synthesis on industrial scale to a considerable extent. Syntheses of five impurities/related substances (USP and EP) are also described.

A three-step preparation of 3-isopropylcatechol

-

Hair dyeing composition containing an aryldiamine and a substituted catechol

A composition for use in the dyeing of keratinous fibre such as hair includes an aqueous anaerobic solution of an aryldiamine and a substituted catechol. Optionally, an aromatic coupling agent can also be incorporated in the composition to modify the shade of color produced. Anaerobic storage conditions can, for example, be maintained by packing the composition in an aerosol container with a halocarbon propellant.