Description

3,5,5-Trimethylhexanoyl Chloride is a versatile branched-chain acid chloride derivative, a key intermediate in organic synthesis prized for its reactivity. Its primary value lies in introducing the bulky, lipophilic 3,5,5-trimethylhexanoyl moiety into target molecules, which can enhance properties like stability and solubility. This compound is essential for manufacturers in the pharmaceutical, agrochemical, and specialty chemical industries seeking to develop advanced active ingredients and performance additives.

Application

• Pharmaceutical Intermediate: Key building block for synthesizing active pharmaceutical ingredients (APIs), particularly where the bulky alkyl chain influences pharmacokinetics.
• Agrochemical Synthesis: Used in the production of herbicides, fungicides, and pesticides, where it acts as an acylating agent to create novel compounds.
• Polymer & Resin Modifier: Employed to introduce side chains into polymers, modifying characteristics like flexibility, hydrophobicity, and thermal stability.
• Lubricant & Fuel Additive Precursor: Serves as a starting material for synthesizing esters and other compounds that improve lubricant performance and fuel efficiency.
• Perfume & Fragrance Intermediate: Utilized in the synthesis of certain musk fragrances and aroma chemicals due to its specific branched structure.
• Organic Synthesis Reagent: A fundamental acyl chloride for Friedel-Crafts acylation, esterification, and amide coupling reactions in research and development.

Basic Information

Product Name	3,5,5-Trimethylhexanoyl Chloride
CAS No.	36727-29-4
Molecular Formula	C9H17ClO
Molecular Weight	176.68 g/mol
Synonyms	Isobutyltrimethylacetyl Chloride; 3,5,5-Trimethylhexanoic Acid Chloride; Trimethylhexanoyl Chloride; 3,5,5-Trimethylcaproyl Chloride; Isobutyltrimethylacetyl Chloride; Isobutyltrimethyl Acetyl Chloride; 3,5,5-Trimethylhexanoyl Chloride; 36727-29-4
EINECS	253-200-1

Quality Control

Our 3,5,5-Trimethylhexanoyl Chloride is produced under stringent quality management systems. Each batch undergoes comprehensive analytical testing, including GC, IR, and titration methods, to ensure high purity and consistency. A detailed Certificate of Analysis (COA) is provided with every shipment, confirming compliance with agreed specifications. We support cGMP and ISO standards for industrial and research applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at 15-25°C. Due to its hygroscopic and moisture-sensitive nature, containers must be kept tightly sealed under an inert atmosphere (e.g., nitrogen) to prevent hydrolysis. Keep away from strong bases, oxidizers, and moisture.

Specification

Item	Specification
Appearance	Clear, colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (GC)	≥ 98.0%
Acid Chloride Content	≥ 97.0%
Free Acid (as 3,5,5-Trimethylhexanoic Acid)	≤ 2.0%
Water Content (KF)	≤ 0.5%
Density (at 20°C)	0.94 - 0.96 g/mL
Refractive Index (n20D)	1.430 - 1.435

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.