2892-18-4

Basic information

• Product Name: ISOBUTYL STYRYL KETONE
• Synonyms: ISOBUTYL STYRYL KETONE;5-METHYL-1-PHENYL-1-HEXEN-3-ONE;5-methyl-1-phenyl-1-hexen-3-on;5-methyl-1-phenylhex-1-en-3-one
• CAS NO: 2892-18-4
• Molecular Formula: C₁₃H₁₆O
• Molecular Weight: 188.27
• EINECS: 220-760-9
• Mol File: 2892-18-4.mol
• Article Data: 15

Chemical Properties

• Melting Point: 43°C
• Boiling Point: 283.28°C (rough estimate)
• Flash Point: 111.2 °C
• Appearance: /
• Density: 0.9509
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.5523 (estimate)
• CAS DataBase Reference: ISOBUTYL STYRYL KETONE(CAS DataBase Reference)
• NIST Chemistry Reference: ISOBUTYL STYRYL KETONE(2892-18-4)
• EPA Substance Registry System: ISOBUTYL STYRYL KETONE(2892-18-4)

Safety Data

• RTECS: MP8925000
• Hazardous Substances Data: 2892-18-4(Hazardous Substances Data)

Usage

General Description

ISOBUTYL STYRYL KETONE, also known as alpha-methyl styrene ketone, is a chemical compound that is commonly used as a fragrance ingredient in perfumes, cosmetics, and personal care products. It is also used as a flavoring agent in food products. ISOBUTYL STYRYL KETONE has a sweet, floral odor with fruity undertones and is often described as having a violet-like fragrance. It is considered safe for use in consumer products when used in accordance with regulations and guidelines. However, prolonged exposure to high concentrations of the compound may cause irritation to the skin, eyes, and respiratory system.

InChI:InChI=1/C13H16O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+

Upstream product

• 100-52-7 benzaldehyde 
• 108-10-1 4-methyl-2-pentanone 
• 7647-01-0 hydrogenchloride 
• 1078127-07-7 5-methyl-1-phenyl-1-phenylselenohexan-3-one 
• 4798-46-3 5-methylhex-1-en-3-ol 
• 98-80-6 phenylboronic acid 
• 130901-67-6 dichloro-bis-(4-methyl-2-oxo-pentyl)-λ⁴-tellane 
• 1541-05-5 4-methyl-pent-1-en-2-yl acetate 
• 2346-32-9 4-Methyl-2-(trimethylsiloxy)-2-penten 
• 59417-87-7 4-methyl-2-trimethylsilyloxy-1-pentene 
• 18415-23-1 1,1-bis(trimethylsilyl)-2-phenylethylene 
• 108-12-3 isopentanoyl chloride 
• 563-80-4 3-methyl-butan-2-one 

Downstream Products

• 100201-13-6 (2R,3R)-7-Methyl-5-oxo-3-phenyl-2-vinyl-octanoic acid 
• 118536-03-1 (E)-9-methyl-5-phenyl-7-oxodec-2-enoic acid 
• 100201-13-6 7-Methyl-5-oxo-3-phenyl-2-vinyl-octanoic acid 
• 17844-09-6 2-phenyl-6-methylheptan-4-one 
• 134259-48-6 (Z)-4-Methyl-2-((E)-styryl)-pent-2-enenitrile 
• 1644084-86-5 C₃₀H₃₂O₂ 
• 60796-13-6 (E)-3-hydroxy-5-methyl-1-phenyl-1-hexene 
• 1393563-56-8 (S)-dimethyl 2-(5-methyl-3-oxo-1-phenylhexyl)malonate 
• 1393563-68-2 dimethyl 2-(5-methyl-3-oxo-1-phenylhexyl)malonate 

Relevant articles and documents

Alkali enolates of unsymmetrical ketones from silyl enol ethers. Highly regioselective aldol reactions dependent on the nature of the cation

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Potent and Selective Inhibitors of Trypanosoma cruzi Triosephosphate Isomerase with Concomitant Inhibition of Cruzipain: Inhibition of Parasite Growth through Multitarget Activity

Triosephosphate isomerase (TIM) is an essential Trypanosoma cruzi enzyme and one of the few validated drug targets for Chagas disease. The known inhibitors of this enzyme behave poorly or have low activity in the parasite. In this work, we used symmetrical diarylideneketones derived from structures with trypanosomicidal activity. We obtained an enzymatic inhibitor with an IC50value of 86 nm without inhibition effects on the mammalian enzyme. These molecules also affected cruzipain, another essential proteolytic enzyme of the parasite. This dual activity is important to avoid resistance problems. The compounds were studied in vitro against the epimastigote form of the parasite, and nonspecific toxicity to mammalian cells was also evaluated. As a proof of concept, three of the best derivatives were also assayed in vivo. Some of these derivatives showed higher in vitro trypanosomicidal activity than the reference drugs and were effective in protecting infected mice. In addition, these molecules could be obtained by a simple and economic green synthetic route, which is an important feature in the research and development of future drugs for neglected diseases.

Method for preparing alpha and beta-unsaturated ketone

The invention provides a method for preparing alpha and beta-unsaturated ketone. The method includes that L-proline is used as a catalyst, secondary amine is used as a cocatalyst, and the alpha and beta-unsaturated ketone can be directly synthesized in alcohol or ketone solution by means of aldol condensation under neutral conditions at one step. Compared with the traditional method, the method has the advantages that raw materials are easily available, the method is low in cost and is environmental friendly, reaction conditions are mild, solvents are clean and environmental friendly, equipment can be protected against corrosion under the neutral conditions, the catalyst is high in acid resistance, and the method is applicable to industrial production.