7498-54-6

Basic information

• Product Name: 3-(tert-Butyl)benzoic acid
• Synonyms: 3-(tert-Butyl)benzoic acid;Benzoic acid,3-(1,1-dimethylethyl)-;m-tert-Butylbenzoic acid;NSC 407552;3-t-butylbenzoic acid
• CAS NO: 7498-54-6
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.23
• Product Categories: Carboxylic Acids;Phenyls & Phenyl-Het;Carboxylic Acids;Phenyls & Phenyl-Het
• Mol File: 7498-54-6.mol
• Article Data: 10

Chemical Properties

• Melting Point: 127-127.6℃
• Boiling Point: 304.71°C (estimate)
• Flash Point: 136°C
• Appearance: /
• Density: 1.0435 (estimate)
• Vapor Pressure: 0.00126mmHg at 25°C
• Refractive Index: 1.5201 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.20(at 25℃)
• CAS DataBase Reference: 3-(tert-Butyl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(tert-Butyl)benzoic acid(7498-54-6)
• EPA Substance Registry System: 3-(tert-Butyl)benzoic acid(7498-54-6)

Safety Data

• Statements: 36/37/38-22
• Safety Statements: 22-26-36/37/39
• Hazardous Substances Data: 7498-54-6(Hazardous Substances Data)

Usage

General Description

3-(tert-Butyl)benzoic acid, also known by its IUPAC name as 3-[(2-methylpropan-2-yl) phenyl] propanoic acid, is a chemical compound with the molecular formula C12H16O2. It belongs to the class of organic compounds known as Benzoic acids and derivatives, where chemicals contain a benzene ring that is substituted by one carboxyl group and one alkyl group. It is often used in fragrance formulations due to its distinct odor characteristic. It is typically a white or off-white crystalline powder at room temperature. The compound has a variety of potential applications in industries such as cosmetics, food additives, pharmaceuticals, and plastics.

InChI:InChI=1/C11H14O2/c1-11(2,3)9-6-4-5-8(7-9)10(12)13/h4-7H,1-3H3,(H,12,13)

Upstream product

• 154532-34-0 3-tert-butyl-1-cyanobenzene 
• 102405-32-3 3-tert-butylbenzyl bromide 
• 15719-64-9 methylammonium carbonate 
• 23039-28-3 3-(tert-butyl)benzaldehyde 
• 98-51-1 4-tert-butyltoluene 
• 1075-38-3 m-t-butyltoluene 
• 71-43-2 benzene 
• 20330-45-4 4-tert-butylacetanilide 
• 64-18-6 formic acid 
• 253185-03-4 tert-butylbenzene 
• 20033-12-9 1-tert-butyl-3-isopropylbenzene 
• 7697-37-2 nitric acid 
• 27330-57-0 methyl 3-(tert-butyl)benzoate 
• 124-38-9 carbon dioxide 

Downstream Products

• 60772-72-7 2-chloro-5-t-butylbenzoic acid 
• 2475-77-6 2-amino-5-(1,1-dimethylethyl)benzoic acid 
• 104729-88-6 (E)-1-(4-(tert-butyl)phenyl)-1,2-diphenylethylene 
• 1450828-18-8 5-(3-(tert-butyl)phenyl)-1,3,4-oxadiazol-2-amine 

Relevant articles and documents

HETEROCYCLIC CYTOKINE INHIBITORS

The present invention provides low molecular weight compounds useful as cytokine inhibitors, and compositions thereof. In particular, compounds of the invention are useful as anti-inflammatory, anti-pain or anti-cancer agents. There are further provided m

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The invention relates to chemical compounds of the formula (I): or pharmaceutically acceptable salts thereof, which possess B Raf inhibitory activity and are accordingly useful for their anti cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments of use in the production of an anti-cancer effect in a warm blooded animal such as man.

SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS

The invention relates to chemical compounds of the formula (I): or pharmaceutically acceptable salts thereof, which possess B Raf inhibitory activity and are accordingly useful for their anti cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments of use in the production of an anti-cancer effect in a warm blooded animal such as man.