5467-42-5

Basic information

• Product Name: 2,2,4,6,6-pentamethylheptane-3,5-dione
• Synonyms: 2,2,4,6,6-Pentamethyl-3,5-heptanedione; 3,5-Heptanedione, 2,2,4,6,6-pentamethyl-
• CAS NO: 5467-42-5
• Molecular Formula: C₁₂H₂₂O₂
• Molecular Weight: 198.3019
• Mol File: 5467-42-5.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 254.1°C at 760 mmHg
• Flash Point: 93.6°C
• Density: 0.895g/cm³
• Vapor Pressure: 0.0176mmHg at 25°C
• Refractive Index: 1.433
• CAS DataBase Reference: 2,2,4,6,6-pentamethylheptane-3,5-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2,4,6,6-pentamethylheptane-3,5-dione(5467-42-5)
• EPA Substance Registry System: 2,2,4,6,6-pentamethylheptane-3,5-dione(5467-42-5)

Safety Data

• Hazardous Substances Data: 5467-42-5(Hazardous Substances Data)

Usage

Appearance

Yellow liquid The compound has a yellowish color and is in liquid form.

Odor

Pungent The compound has a strong, sharp smell.

Solubility

Soluble in organic solvents It can dissolve in solvents like ethanol and ether, which are organic.

Aroma

Sweet, fruity, nutty The compound is known for its pleasant aroma, which includes sweet, fruity, and nutty scents.

Usage

Flavoring agent and fragrance ingredient It is commonly used in the food and cosmetic industries to add flavor and scent to various products.

Applications

Perfumes, air fresheners, and scented products Due to its pleasant fragrance, 2,2,4,6,6-pentamethylheptane-3,5-dione is used in the production of perfumes, air fresheners, and other scented products.

Upstream product

• 2437-52-7 3-tert-Butyl-2,4,4-trimethyl-pent-2-ene 
• 614-45-9 tert-Butyl peroxybenzoate 
• 1118-71-4 2,2,6,6-tetramethylheptane-3,5-dione 
• 74-88-4 methyl iodide 

Downstream Products

• 141665-20-5 1,4-dimethyl-3,5-di-tert-butyl-pyrazole 

Relevant articles and documents

Unusual nonoctahedral geometry with molybdenum oxoimido complexes containing η2-pyrazolate ligands

The preparation and oxygen-atom-transfer (OAT) reactivity of oxoimido complexes [MoO(N-t-Bu)(t-Bu2-4-Rpz)2] [where R = H (1), Br (2), and Me (3); t-Bu2pz = 3,5-di-tert-butylpyrazolate] are reported. The reaction of the potassium salt of the respective pyrazolate ligands and the molybdenum oxoimido precursor, [MoO(N-t-Bu)Cl2(dme)] (dme = dimethoxyethane), in toluene afforded complexes 1-3 in good yields. The complexes were fully characterized by 1H and 13C NMR and IR spectroscopy, mass spectrometry, elemental analysis, and single-crystal X-ray crystallography. The solid-state structures reveal that, in each case, the molybdenum center is coordinated by one oxo, one N-t-Bu group, and two sterically demanding pyrazolate ligands via their two adjacent nitrogen atoms in an η2 fashion. Coordination around the metal center is severely distorted from octahedral and might be seen as closely approaching a distorted trigonal-prismatic geometry, which is relevant to the active site of dimethyl sulfoxide reductase in its oxidized form. The potential utility of all of the complexes 1-3 for OAT reactivity toward PMe3 at room temperature is examined, and plausible mechanistic pathways are explored by density functional theory calculations. Furthermore, the complexes reported here open a new and convenient entry into mixed oxoimidomolybdenum complexes.

Method for preparing 2-methyl-1,3-dicarbonyl derivative

The invention discloses a method for preparing a 2-methyl-1,3-dicarbonyl derivative. A 1,3-dicarbonyl derivative serves as an initiator, raw materials are easy to obtain, and a great variety of raw materials are available. The product obtained through the method has high type diversity and can be used directly or used for other further reactions. Besides, only organic peroxides and a catalytic amount of inorganic copper salt are used, so that cost is low. According to the method, a reaction is conducted in air, reaction conditions are mild, pollution is small, reaction time is short, the yield of the target product is high, reaction operation and aftertreatment are easy, and the method is suitable for industrial production.