70621-82-8

Basic information

• Product Name: 2,4-DIMETHYLHEXANOIC ACID
• Synonyms: 2,4-DIMETHYLHEXANOIC ACID
• CAS NO: 70621-82-8
• Molecular Formula: C₈H₁₆O₂
• Molecular Weight: 144.21
• EINECS: 274-702-2
• Mol File: 70621-82-8.mol

Chemical Properties

• Boiling Point: 228.91°C (estimate)
• Flash Point: 104.8 °C
• Appearance: /
• Density: 0.9173 (rough estimate)
• Vapor Pressure: 0.0231mmHg at 25°C
• Refractive Index: 1.4110 (estimate)
• CAS DataBase Reference: 2,4-DIMETHYLHEXANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-DIMETHYLHEXANOIC ACID(70621-82-8)
• EPA Substance Registry System: 2,4-DIMETHYLHEXANOIC ACID(70621-82-8)

Safety Data

• Hazardous Substances Data: 70621-82-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2,4-DIMETHYLHEXANOIC ACID is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its role in the production process is crucial for creating a wide array of medications that address different health conditions.
Used in Agrochemical Industry:
In the agrochemical sector, 2,4-DIMETHYLHEXANOIC ACID is employed as a chemical intermediate, contributing to the development of products that enhance crop protection and support sustainable agriculture.
Used as a Flavoring Agent in Food Industry:
2,4-DIMETHYLHEXANOIC ACID is utilized as a flavoring agent in food products, adding unique taste profiles to various consumables while ensuring safety and low toxicity for consumers.
Safety Note:
While 2,4-DIMETHYLHEXANOIC ACID is generally considered safe for use in various applications, it is essential to handle it with care and follow safety guidelines to prevent any potential health hazards.

InChI:InChI=1/C8H16O2/c1-4-6(2)5-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)

Upstream product

• 29394-58-9 (S)-1-iodo-2-methyl-butane 
• 802294-64-0 propionic acid 
• 1565-80-6 (2S)-2-methyl-1-butanol 
• 589-34-4 3-methyl-hexane 
• 201230-82-2 carbon monoxide 

Relevant articles and documents

Mild, single-pot hydrocarboxylation of linear C5-C9 alkanes into branched monocarboxylic C6-C10 acids in copper-catalyzed aqueous systems

A single-pot method has been developed for the hydrocarboxylation of the liquid C5-C9 alkanes (n-pentane, n-hexane, n-heptane, n-octane, n-nonane and 3-methylhexane) into the branched monocarboxylic C 6-C10 acids bearing one more carbon atom. This method is characterized by a direct, selective and low-temperature (60 °C) hydrocarboxylation reaction of the alkane with carbon monoxide, water (which acts as a reagent besides being a solvent component) and potassium peroxodisulfate, in H2O/MeCN medium. The hydrocarboxylations are markedly enhanced in the presence of a tetracopper(II) triethanolaminate complex as a homogeneous catalyst precursor. Total yields (based on alkane) of carboxylic acids up to 46% (with 97-99% overall selectivity) have been achieved, which are remarkable in the field of alkane functionalization under mild conditions, especially for a C-C bond formation reaction in aqueous acid-solvent-free medium. The regio- and bond selectivity parameters have been determined and a free radical mechanism has been proposed.

Determination of the relative and absolute configuration of the dimethylmyristoyl side chain of pneumocandin B0 by asymmetric synthesis

(Equation presented) The relative and absolute configuration of the pneumocandin B0 side chain has been established as (10R,12S)-dimethylmyristoyl by the stereocontrolled synthesis of both antipodes of the side chain acid and their comparison to a sample derived from the natural product.

Pheromones, 65. - Identification of the Volatile Components of the Mandibular Gland Secretion of the Ant Manica rubida: Structure Elucidation, Synthesis, and Absolute Configuration of Manicone

By means of gas chromatography and mass spectrometry, manicone, (4E)-4,6-dimethyl-4-octen-3-one (1), was identified as the main component of the mandibular gland secretion of the ant Manica rubida.In addition the presence of homomanicone (2), bishomomanicone (3), normanicone (7), and a few aliphatic aldehydes and ketones was also evident in the gland.Racemic 1, 2, and 7 and optically active dihydromanicone (4), were synthesized.The (S) configuration of 1 was determined by complexation gas chromatography, on a chiral phase, of 4 as well as of the hydrogenation products of racemic and natural 1.