19550-10-8

Basic information

• Product Name: 3,4-DIMETHYL-2-HEXANONE
• Synonyms: 3,4-dimethyl-hexan-2-one;3,4-DIMETHYL-2-HEXANONE
• CAS NO: 19550-10-8
• Molecular Formula: C8H16O
• Molecular Weight: 128.21
• Mol File: 19550-10-8.mol
• Article Data: 1

Chemical Properties

• Melting Point: -32.24°C (estimate)
• Boiling Point: 158.05°C
• Flash Point: 34.2°C
• Appearance: /
• Density: 0.8295
• Vapor Pressure: 2.68mmHg at 25°C
• Refractive Index: 1.4193
• CAS DataBase Reference: 3,4-DIMETHYL-2-HEXANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-DIMETHYL-2-HEXANONE(19550-10-8)
• EPA Substance Registry System: 3,4-DIMETHYL-2-HEXANONE(19550-10-8)

Safety Data

• Hazardous Substances Data: 19550-10-8(Hazardous Substances Data)

Usage

Description

3,4-DIMETHYL-2-HEXANONE, also known as diisobutyl ketone, is a colorless liquid chemical compound with the molecular formula C8H16O. It has a strong odor and is commonly used in various industries due to its solvent properties.

Uses

Used in Coatings, Paints, and Adhesives Industry:
3,4-DIMETHYL-2-HEXANONE is used as a solvent for the production of coatings, paints, and adhesives, providing a smooth application and enhancing the final product's quality.
Used in Food Industry:
3,4-DIMETHYL-2-HEXANONE is used as a flavoring agent in the food industry, adding unique taste and aroma to various food products.
Used in Pharmaceutical Manufacturing:
3,4-DIMETHYL-2-HEXANONE is used as a synthetic intermediate in the manufacturing of pharmaceuticals, contributing to the development of new drugs and medications.
It is important to handle and store 3,4-DIMETHYL-2-HEXANONE according to safety guidelines to minimize the risk of exposure and potential health effects, such as irritation of the skin, eyes, and respiratory system, as well as central nervous system depression when inhaled or ingested in high concentrations.

InChI:InChI=1/C8H16O/c1-5-6(2)7(3)8(4)9/h6-7H,5H2,1-4H3

Upstream product

• 60-29-7 diethyl ether 
• 1567-73-3 (E)-3-methylpent-3-en-2-one 
• 925-90-6 ethylmagnesium bromide 
• 859971-07-6 3,4-dimethyl-hex-5-en-2-one 
• 1635-02-5 3,4-dimethyl-hex-3-en-2-one 
• 917-64-6 methyl magnesium iodide 
• 42328-68-7 2,3-dimethyl-pentanenitrile 
• 815-57-6 3-Methyl-2,4-pentanedione 
• 111300-57-3 dimethyl-3,4 oxo-5 hexanedithioate de methyle 
• 871874-11-2 3,4-dimethyl-4-chlorohexane-2-one 

Relevant articles and documents

AUTO-PROTONATION DIASTEREOSELECTIVE D'ENOLATES ISSUS DE L'ADDITION-1,4 D'ENETHIOLATES AVEC DES ENONES

1,4-Addition reaction of lithiated methyl dithioacetate with alpha,-beta-disubstituted enones affords diastereomeric 5-oxodithioalkanoates.Syn configuration was assigned to the major diastereomer by chemical correlation.High diastereoselectivities were obtained with 2,2,4-trimethyl-4-hexen-3 one and 2-ethyldenecycloalkanones, making this reaction useful for selective synthesis of acyclic or semi-cyclic chains with 1,2-adjacent asymmetric carbons.The stereochemical course is opposite to the one normally observed for the protonation of acyclic diastereotopic enolates (Houk model).Trapping experiments revealed that the species present prior to hydrolysis is not an enolate but an enethiolate, already bearing the syn stereochemistry.These enethiolates arise from the following steps : Michael addition gives and elusive enolate which undergoes a fast "auto-protonation" : transfer of the hydrogen alpha to the thiocarbonyl group towards the enolate moiety.Geometry of the enethiolate double bond is unique and probably cis.An intramolecular concerted auto-protonation mechanism is discussed and a pseudo-cyclic transition state is tentatively assigned.An example of a tandem Michael addition/Claisen rearrangement was achieved by S-allylation of the addition intermediate followed by transposition of the resulting unsaturated ketene dithioacetal at room temperature.Diastereoselectivity for the protonation of 1,3-diastereotopic enolates was also examined.