2040-10-0

Basic information

• Product Name: 4'-TERT-BUTYL-2',6'-DIMETHYLACETOPHENONE
• Synonyms: 1-(4-(1,1-DIMETHYLETHYL)-2,6-DIMETHYLPHENYL)-ETHANONE;4'-TERT-BUTYL-2',6'-DIMETHYLACETOPHENONE;4-TERT-BUTYL-2,6-DIMETHYLACETOPHENONE;TIMTEC-BB SBB007845;ORINOX(TM);1-[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]-ethanon;ORINOX;Ethanone, 1-4-(1,1-dimethylethyl)-2,6-dimethylphenyl-
• CAS NO: 2040-10-0
• Molecular Formula: C₁₄H₂₀O
• Molecular Weight: 204.31
• EINECS: 218-037-8
• Product Categories: Acetophenone;Organic Photoinitiators;Polymerization Initiators
• Mol File: 2040-10-0.mol

Chemical Properties

• Melting Point: 47-49 °C(lit.)
• Boiling Point: 150 °C20 mm Hg(lit.)
• Flash Point: 116.8 °C
• Appearance: off-white solid
• Density: 0.9463 (rough estimate)
• Refractive Index: 1.5397 (estimate)
• CAS DataBase Reference: 4'-TERT-BUTYL-2',6'-DIMETHYLACETOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4'-TERT-BUTYL-2',6'-DIMETHYLACETOPHENONE(2040-10-0)
• EPA Substance Registry System: 4'-TERT-BUTYL-2',6'-DIMETHYLACETOPHENONE(2040-10-0)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 2040-10-0(Hazardous Substances Data)

Usage

Uses

Used in the Cosmetics and Personal Care Industry:
4'-TERT-BUTYL-2',6'-DIMETHYLACETOPHENONE is used as a fragrance ingredient for its appealing fruity scent, enhancing the sensory experience of various cosmetic and personal care products.
Used in Pharmaceutical Manufacturing:
In the pharmaceutical industry, 4'-TERT-BUTYL-2',6'-DIMETHYLACETOPHENONE serves as an intermediate in the synthesis of various medicinal compounds, contributing to the development of new drugs.
Used in Agrochemical Production:
4'-TERT-BUTYL-2',6'-DIMETHYLACETOPHENONE is also utilized as an intermediate in the production of agrochemicals, playing a role in the creation of substances that aid in crop protection and enhancement of agricultural yields.
Used in the Synthesis of Other Organic Compounds:
Due to its unique chemical structure, 4'-TERT-BUTYL-2',6'-DIMETHYLACETOPHENONE is employed as a building block in the synthesis of a range of organic compounds for various applications across different industries.
It is crucial to handle 4'-TERT-BUTYL-2',6'-DIMETHYLACETOPHENONE with care due to its potential health hazards if mismanaged, emphasizing the importance of proper safety measures during its use and production.

Upstream product

• 98-19-1 5-tert-Butyl-m-xylene 
• 108-24-7 acetic anhydride 
• 75-36-5 acetyl chloride 
• 119335-81-8 4-tert-butyl-2,6-dimethyl-benzoyl chloride 
• 506-82-1 dimethylcadmium 

Downstream Products

• 81-14-1 Musk ketone 
• 65276-19-9 2-ethyl-5-tert-butyl-1,3-dimethyl-benzene 
• 85152-38-1 4-tert-butyl-2,6-dimethyl-styrene 
• 28188-48-9 4-tert-butyl-2,6-dimethyl-benzenesulfonic acid 
• 56222-53-8 1-(4-tert-butyl-2,6-dimethyl-phenyl)-ethanol 
• 106320-75-6 4-tert-butyl-2,6-dimethylphenylacetylene 
• 151427-08-6 4'-t-butyl-2',6'-dimethylphenacyl bromide 
• 31706-14-6 3-(4-tert-butyl-2,6-dimethyl-phenyl)-3-oxo-propionaldehyde 
• 81-15-2 musk xylene 
• 71850-77-6 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitrobenzene 
• 151426-95-8 5-(4-t-butyl-2,6-dimethylphenyl)-2-(4-pyridyl)oxazole 
• 151427-12-2 N-(4'-t-butyl-2',6'-dimethylphenacyl)isonicotinamide 
• 151427-09-7 N-(4'-t-butyl-2',6'-dimethylphenacyl)phthalimide 
• 151427-10-0 N-<2-(4'-t-butyl-2',6'-dimethylphenyl)-2-oxoethyl>phthalamic acid 

Relevant articles and documents

Design, synthesis and structure-based optimization of novel isoxazole-containing benzamide derivatives as FtsZ modulators

Antibiotic resistance among clinically significant bacterial pathogens is becoming a prevalent threat to public health, and new antibacterial agents with novel mechanisms of action hence are in an urgent need. Utilizing computational docking method and structure-based optimization strategy, we rationally designed and synthesized two series of isoxazol-3-yl- and isoxazol-5-yl-containing benzamide derivatives that targeted the bacterial cell division protein FtsZ. Evaluation of their activity against a panel of Gram-positive and -negative pathogens revealed that compounds B14 and B16 that possessed the isoxazol-5-yl group showed strong antibacterial activity against various testing strains, including methicillin-resistant Staphylococcus aureus and penicillin-resistant S. aureus. Further molecular biological studies and docking analyses proved that the compound functioned as an effective inhibitor to alter the dynamics of FtsZ self-polymerization via a stimulatory mechanism, which finally terminated the cell division and caused cell death. Taken together, these results could suggest a promising chemotype for development of new FtsZ-targeting bactericidal agent.

Ketone precursors for organoleptic compounds

The invention discloses ketones of formula I: wherein, Y is an optionally substituted alkyl, cycloalkyl, or cycloalkylalkyl, wherein each alkyl group is straight or branched and each alkyl and cycloalkyl group is saturated or unsaturated; R1is hydrogen or a C1-6alkyl group that is substituted, saturated or unsaturated, straight or branched; A is a chromophoric substituted aromatic ring or ring system; n is an integer; and with the proviso that formula I is not 2-ethoxy-1-phenyl-ethanone. These compositions are useful for the delivery of organoleptic compounds, especially of flavors, fragrances, masking agents and antimicrobial compounds.