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TCI

CAS 78-59-1

Isophorone TCI I0151

Isophorone TCI I0151

Chemical Identity

CAS No.
78-59-1
PubChem
CID 6544·SID 87571538
Formula
C9H14O
Molecular weight
138.21 g/mol
Purity
>97.0%(GC)
Reference databases
ChEBI·ChemSpider·ECHA·Wikipedia
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
3,5,5-trimethylcyclohex-2-en-1-one
SMILES
CC1=CC(=O)CC(C1)(C)C
InChIKey
HJOVHMDZYOCNQW-UHFFFAOYSA-N
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Isophorone from TCI is an α,β-unsaturated cyclic ketone built on a cyclohexenone framework that carries three methyl groups. In laboratories and industry, it is known as a high-solvency solvent for resins, polymers, paints, and inks, and it is also an important intermediate in organic synthesis. TCI lists it under Non-Heterocyclic Building Blocks because its structure can be modified further into a range of useful derivatives. That makes it suitable for academic research as well as materials development work.

Isophorone is often chosen because it combines two useful roles. As a solvent, it dissolves many resins and polymers that are hard to dissolve in common solvents. It also evaporates relatively slowly, which helps in coating formulations. As a synthetic substrate, its conjugated enone system allows conjugate addition, selective reduction, epoxidation, and other reactions at the double bond or the carbonyl group. In industry, Isophorone is the precursor to isophorone diamine and isophorone diisocyanate, both of which are used in polyurethanes and epoxy resins.

In Indonesian laboratories, Isophorone is relevant to formulation research on paints, coatings, and inks. Organic synthesis groups can use it as a versatile building block to study enone chemistry and prepare functionalized cyclohexane derivatives. University chemistry departments, polymer and materials research centres, and industrial R&D teams developing polyurethane or epoxy systems can all use a reliable TCI reagent to get consistent, reproducible results in both teaching and applied research.

  • Coating and paint formulation research: Isophorone dissolves many hard-to-dissolve resins and evaporates relatively slowly, which helps researchers study film formation, levelling, and drying in experimental coating systems.
  • Ink and polymer solution studies: Its high solvency for resins and polymers makes it useful for preparing test solutions and evaluating how polymers dissolve when designing printing inks or polymer processing methods.
  • Conjugate addition reactions: The conjugated enone system of the cyclohexenone framework is a good substrate for conjugate (Michael-type) additions, so chemists can build substituted cyclic ketone derivatives in organic synthesis.
  • Selective reduction and epoxidation studies: Isophorone has both a carbon-carbon double bond and a carbonyl group, so it is a practical model compound for studying selective reduction, epoxidation, and other reactions at each reactive site.
  • Polyurethane and epoxy precursor research: Isophorone is the industrial precursor to isophorone diamine and isophorone diisocyanate, so it is a relevant starting material for laboratories studying monomers for polyurethanes and epoxy resins.

Brand TCI (product code I0151)
CAS number 78-59-1
Molecular formula —
Purity —
Category Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes available in the pack sizes offered by TCI; please confirm current options with AMI Scientific
Physical form liquid
Storage keep tightly closed in a cool, dry, well-ventilated place, following the TCI label and Safety Data Sheet

Store Isophorone in its original, tightly sealed container in a cool, dry, well-ventilated area. Keep it away from heat, sparks, open flames, and strong oxidizing agents. Use chemically compatible containers, such as the supplier's original bottle or suitable glass, and label any transferred portions clearly. Handle the material in a fume hood or another well-ventilated area, and wear safety glasses, chemical-resistant gloves, and a lab coat. Avoid breathing vapours and avoid contact with skin and eyes. Always read the TCI Safety Data Sheet before use, and dispose of waste according to institutional and local regulations.

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