35031-53-9

Basic information

• Product Name: 2-5-dimethylbutyrophenone
• Synonyms: 2-5-dimethylbutyrophenone;1-(2,5-dimethylphenyl)butan-1-one;1,4-Dimethyl-2-butyrylbenzene;2,5-Dimethylphenylpropyl ketone
• CAS NO: 35031-53-9
• Molecular Formula: C₁₂H₁₆O
• Molecular Weight: 176.26
• Mol File: 35031-53-9.mol
• Article Data: 3

Chemical Properties

• Melting Point: 88-93 °C
• Boiling Point: 160-170 °C(Press: 0.15 Torr)
• Appearance: /
• Density: 0.944±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 2-5-dimethylbutyrophenone(CAS DataBase Reference)
• NIST Chemistry Reference: 2-5-dimethylbutyrophenone(35031-53-9)
• EPA Substance Registry System: 2-5-dimethylbutyrophenone(35031-53-9)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 35031-53-9(Hazardous Substances Data)

Usage

General Description

2-5-dimethylbutyrophenone, also known as 2,5-dimethyl-1-phenyl-1-pentanone, is a chemical compound with the molecular formula C12H16O. It is a colorless liquid with a strong odor, commonly used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. 2-5-dimethylbutyrophenone is also used as a flavoring agent in the food industry and as a fragrance in the cosmetic industry. It is classified as a ketone, containing a carbonyl group bonded to two alkyl groups, and is considered to be relatively stable and non-reactive under normal conditions. However, it should be handled with care due to its potential to cause irritation to the skin, eyes, and respiratory system.

Upstream product

• 106-42-3 para-xylene 
• 107-92-6 butyric acid 
• 141-75-3 butyryl chloride 

Downstream Products

• 1601-71-4 1,4-dimethyl-2-butylbenzene 
• 1453-06-1 4-(p-xylyl)butyric acid 

Relevant articles and documents

Friedel-Crafts acylation reaction using carboxylic acids as acylating agents

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.

Friedel-Crafts Acylation of Toluene and p-Xylene with Carboxylic Acids Catalyzed by Zeolites

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