3,5,5-Trimethylhexanoyl chloride
3,5,5-Trimethylhexanoyl chloride (CAS: 36727-29-4) is a reactive acid halide with a molecular weight of 176.68 g/mol. This organic compound is characterised by its acyl chloride functional group, making it a valuable intermediate in organic synthesis. It serves as a crucial building block for introducing the 3,5,5-trimethylhexanoyl moiety into various molecules, finding utility in the preparation of esters, amides, and other derivatives across diverse chemical industries.
- IUPAC
- Isononanoyl chloride
- Synonyms
- 36727-29-4Isononanoyl chloride(CH3)3CCH2CH(CH3)CH2COCl
Organic Synthesis Intermediate
3,5,5-Trimethylhexanoyl chloride is primarily used as a reactive intermediate in the synthesis of complex organic molecules. Its acyl chloride group readily participates in acylation reactions, enabling the formation of new carbon-heteroatom bonds.
Ester and Amide Formation
This compound is a precursor for the synthesis of various esters and amides. Reaction with alcohols or amines allows for the introduction of the 3,5,5-trimethylhexanoyl group, modifying the properties of the target molecules.
Building Block for Specialty Chemicals
As a versatile building block, 3,5,5-Trimethylhexanoyl chloride contributes to the development of specialty chemicals, including potential applications in materials science and pharmaceuticals where specific hydrophobic chains are required.
| Molecular weight | 176.68 |
|---|---|
| Linear formula | (CH3)3CCH2CH(CH3)CH2COCl |
| Assay | 98% |
| Boiling point | 188-190 °C(lit.) |
| Density | 0.93 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.436(lit.) |
Hazard statements
- H290May be corrosive to metals
- H302Harmful if swallowed
- H314Causes severe skin burns and eye damage
- H317May cause an allergic skin reaction
- H330Fatal if inhaled
- H412Harmful to aquatic life with long-lasting effects
Precautionary statements
- P260Do not breathe dust, fume, gas, mist, vapours or spray
- P273Avoid release to the environment
- P280Wear protective gloves, clothing and eye/face protection
- P284Wear respiratory protection
- P305IF IN EYES
- P310Immediately call a POISON CENTER or doctor
| Protective equipment | Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 140 °C / 284 °F |
| Transport (UN / ADR) | UN 2922 6.1(8) / PGI |
| Water hazard class (WGK, DE) | 1 |
| Hazard codes (EU) | T+ |
| Risk statements (R) | 14-22-26-35-43-52/53 |
| Safety statements (S) | 36/37/39-45-61 |
| Supplemental hazards | Reacts violently with water. |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 3,5,5-Trimethylhexanoyl chloride used for?
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3,5,5-Trimethylhexanoyl chloride (CAS: 36727-29-4) is an acid halide used as a reactive intermediate and building block in organic synthesis, particularly for creating esters and amides.
What are the CAS number and molecular formula?
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The CAS number for 3,5,5-Trimethylhexanoyl chloride is 36727-29-4. The linear formula is (CH₃)₃CCH₂CH(CH₃)CH₂COCl.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3,5,5-Trimethylhexanoyl chloride with a minimum assay of 98%. This product is supplied for research and development purposes and is not represented as USP, BP, or EP grade.
How is this chemical handled and what are the primary hazards?
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3,5,5-Trimethylhexanoyl chloride is a corrosive and toxic substance. It reacts violently with water, causing severe skin burns and eye damage. Inhalation can be fatal. It is also a skin sensitiser. Strict adherence to safety protocols, including the use of appropriate personal protective equipment (gloves, goggles, face shield, respirator), is mandatory.
How is 3,5,5-Trimethylhexanoyl chloride packed and shipped?
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3,5,5-Trimethylhexanoyl chloride is packed in compliance with international shipping regulations for hazardous materials. It is exported globally by Tech Serve Solutions, a specialist supplier.
How can I request a quote or sample?
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To request a quote or a sample of 3,5,5-Trimethylhexanoyl chloride, please contact the Tech Serve Solutions sales team via our website or direct inquiry.
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