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1-(2,5-dimethylphenyl)-2-methylpropan-1-one, also known as 2,5-dimethyl-1-(2-methylpropyl)benzene or p-tolyl isobutyryl methyl ketone, is a chemical compound classified under the ketone group. It is characterized by its colorless liquid form, sweet fruit-like odor, and solubility in organic solvents rather than water. 1-(2,5-dimethylphenyl)-2-methylpropan-1-one is recognized for its diverse applications across various industries.

5445-46-5

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5445-46-5 Usage

Uses

Used in the Food Industry:
1-(2,5-dimethylphenyl)-2-methylpropan-1-one is utilized as a flavoring agent for its distinctive fruity aroma, enhancing the taste and smell of various food products.
Used in the Perfume Industry:
1-(2,5-dimethylphenyl)-2-methylpropan-1-one serves as a fragrance ingredient, contributing to the creation of various scents in the perfume industry due to its sweet, fruit-like odor.
Used in the Cosmetics Industry:
1-(2,5-dimethylphenyl)-2-methylpropan-1-one is employed in the production of cosmetics, where its pleasant scent and properties are integrated into different cosmetic products.
Used as an Intermediate in Pharmaceutical Production:
This chemical compound is also used as an intermediate in the synthesis of pharmaceuticals and other organic compounds, highlighting its versatility in the chemical and medicinal fields.
Used in the Synthesis of New Psychoactive Substances:
1-(2,5-dimethylphenyl)-2-methylpropan-1-one has been identified as a potential precursor for the development of new psychoactive substances, indicating its potential in the field of psychopharmacology.

Check Digit Verification of cas no

The CAS Registry Mumber 5445-46-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,4 and 5 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 5445-46:
(6*5)+(5*4)+(4*4)+(3*5)+(2*4)+(1*6)=95
95 % 10 = 5
So 5445-46-5 is a valid CAS Registry Number.

5445-46-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(2,5-dimethylphenyl)-2-methylpropan-1-one

1.2 Other means of identification

Product number -
Other names 2,5-Dimethylbromobenzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5445-46-5 SDS

5445-46-5Relevant academic research and scientific papers

A bridge linking and its application of metal complexes

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Paragraph 0045, (2017/02/23)

The invention discloses a bridged metallocene complex, which is characterized by having a structural formula shown as the following A1, A2, A3 or A4. The invention also discloses a preparation method of ethylene propylene rubber. The ethylene propylene ru

A method of preparation of ethylene-propylene-diene rubber

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Paragraph 0044; 0046, (2017/03/23)

The invention discloses a bridged metallocene complex, which is characterized by having a structural formula shown as the following A1, A2, A3 or A4. The invention also discloses a preparation method of ethylene propylene rubber. The ethylene propylene ru

Stereoselection in the corey-bakshi-shibata reduction: Insight from kinetic isotope effects and transition-structure modeling

Zhu, Hui,O'leary, Daniel J.,Meyer, Matthew P.

supporting information, p. 11890 - 11893 (2013/01/15)

Flexible but demanding: Significant steric demand is isolated to the small (iPr) substituent in the oxazaborolidine-catalyzed borane (CBS) reduction of 2',5'-dimethylisobutyrophenone. Computed transition-structure models (see picture) demonstrate that nea

Cationic intermediates in Friedel-Crafts acylation: Structural information from theory and experiment

Zhu, Hui,Meyer, Matthew P.

supporting information; experimental part, p. 409 - 411 (2011/02/28)

Experimentally-determined intramolecular and intermolecular deuterium kinetic isotope effects and computational studies imply three possible kinetic scenarios for the Friedel-Crafts acylation of xylene. The influence of the structural and energetic proper

Synthesis of a chiral palladacycle and its application in asymmetric hydrophosphanation reactions

Ding, Yi,Zhang, Yi,Li, Yongxin,Pullarkat, Sumod A.,Andrews, Paul,Leung, Pak-Hing

experimental part, p. 4427 - 4437 (2011/02/27)

A novel amine ligand, 1-(2,5-dimethylphenyl)-N,N,2,2-tetramethylpropan- 1-amine, was synthesized in six steps from commercially available p-xylene. Direct ortho-palladation of this amine ligand proceeded readily to form the racemic dimeric complex. The pa

Experimental transition state for the Corey-Bakshi-Shibata reduction

Saavedra, Jaime,Stafford, Sean E.,Meyer, Matthew P.

supporting information; experimental part, p. 1324 - 1327 (2009/06/28)

Asymmetric reductions of prochiral ketones are important transformations in the syntheses of natural products, pharmaceuticals, and fine chemicals. The Corey-Bakshi-Shibata reduction is unique among hydride transfer reductions in its tremendous substrate

Nonbonding interactions and stereoselection in the Corey-Bakshi-Shibata reduction

Meyer, Matthew P.

supporting information; experimental part, p. 4338 - 4341 (2009/12/26)

Deuterium kinetic isotope effect measurements upon enantiotopic methyl groups for the Corey-Bakshi-Shibata reduction of 2',5'-dimethylphenyl isopropyl ketone suggest a complex role for nonbonding Interactions In the mediation of stereoselectlon.

Friedel-Crafts acylation reaction using carboxylic acids as acylating agents

Kawamura, Masato,Cui, Dong-Mei,Shimada, Shigeru

, p. 9201 - 9209 (2007/10/03)

Dehydrative Friedel-Crafts acylation reaction of aromatic compounds with carboxylic acids as acylating agents was investigated in the presence of Lewis acid- or Br?nsted acid-catalyst. Various metal triflates and bis(trifluoromethanesulfonyl)amides showed catalytic activity at high temperature, among which Eu(NTf2)3 proved to be the most effective and efficiently catalyzed the acylation reaction of alkyl- and alkoxybenzenes with aliphatic and aromatic carboxylic acids at 250 °C. Bi(NTf2)3 was more effective than Eu(NTf2)3 at lower temperature, but proved to be hydrolyzed in the presence of a small amount of water to give HNTf2 and [Bi6O4(OH)4(H2O)6](NTf2)6. The structure of the latter compound was confirmed by a single crystal X-ray analysis. Among five Br?nsted acids, HOTf, HNTf2, HCTf3, TsOH, and Nafion SAC-13, HNTf2 has proved to be the most efficient catalyst and more effective than Eu(NTf2)3 for the acylation of p-xylene with heptanoic acid at 220 °C or lower temperature. HNTf2 catalyzed the acylation of anisole with carboxylic acids in high yields in refluxing toluene with azeotropic removal of water.

Lewis acid-catalyzed Friedel-Crafts acylation reaction using carboxylic acids as acylating agents

Kawamura, Masato,Cui, Dong-Mei,Hayashi, Teruyuki,Shimada, Shigeru

, p. 7715 - 7717 (2007/10/03)

Rare-earth metal Lewis acids, in particular Eu(NTf2) 3, were found to be efficient catalysts for Friedel-Crafts acylation reaction using aliphatic as well as aromatic carboxylic acids as acylating agents at high temperature.

STEREOSELECTIVE COMPLEXATION OF PROCHIRAL ARENES. PART I. ASYMMETRIC INDUCTION MEDIATED BY AN ALPHA CHIRAL CENTER

Rosca, Sinziana,Orfanu, Cristina,Stan, Raluca,Rosca, Sorin I.

, p. 1225 - 1234 (2007/10/03)

Diastereoselective Cr(CO)3-complexation of 2,5-dimethylphenyl-alkyl-carbinols was studied. Depending on the structure of the asymmetric alpha carbon atom, a diastereomeric excess of 12-96 percent was obtained. A relative configuration R*S* of the resulted complexes is infered, indicating a preferential complexation from the same side with carbinolic hydroxyl group.

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