2,5-Dimethylcyclohexanone (mixture of isomers) TCI D1279

Chemical Identity

CAS No.: 932-51-4
PubChem: CID 523055·SID 87567812
Formula: C8H14O
Molecular weight: 126.20 g/mol
Purity: >95.0%(GC)
Storage: 0-10°C
Reference databases: ChEBI

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 2,5-dimethylcyclohexan-1-one
SMILES: CC1CCC(C(=O)C1)C
InChIKey: LUGFNAYTNQMMMY-UHFFFAOYSA-N
MDL: MDL00045551

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2,5-Dimethylcyclohexanone is a cyclic ketone derived from cyclohexanone, carrying two methyl groups at positions 2 and 5 of the ring. TCI supplies it as a mixture of isomers, so the cis and trans forms are present together in the same pack. In organic synthesis laboratories it serves as a non-heterocyclic building block for assembling more complex carbon frameworks. Its carbonyl group is readily converted into alcohols, amines, alkenes, or other derivatives, which makes this material a common starting point for multistep synthetic routes.

Researchers choose 2,5-Dimethylcyclohexanone because it combines ketone reactivity with methyl substitution on the ring, giving it a stereochemical pattern that is worth studying in its own right. The substituted alpha positions influence enolate formation, the direction of nucleophilic attack, and the selectivity of subsequent reactions. As a mixture of isomers, the material is also useful for studies on the separation and characterization of isomers by chromatography and spectroscopy. It is a liquid, so it can be measured out volumetrically, and its pack sizes are given in millilitres, which suits small- to medium-scale reactions.

In Indonesia, this material is most relevant to organic chemistry laboratories at universities and research institutions, where it supports synthesis coursework, final-year and graduate research projects, and methodology studies on cyclic ketones. Teams working on stereoselective reactions, enolate chemistry, or analytical method development for isomer mixtures will find it a practical reagent. Its liquid form and millilitre packaging make it convenient for teaching laboratories and research groups that run reactions on a modest scale and need consistent, well-defined starting materials from a recognized brand.

Related TCI products

Building block synthesis: the cyclohexanone ring with two methyl substituents gives a ready-made carbon framework that can be extended into more complex non-heterocyclic target molecules.
Carbonyl functional group transformations: the ketone group converts readily into alcohols, amines, alkenes, and other derivatives, making the compound a flexible entry point for multistep synthetic routes.
Enolate and alpha-substitution studies: the substituted alpha positions affect enolate formation and reaction selectivity, which makes the compound well suited to research on regioselective and stereoselective chemistry.
Nucleophilic addition selectivity research: methyl groups on the ring influence the direction of nucleophilic attack on the carbonyl, so researchers can examine facial selectivity and stereochemical outcomes in detail.
Isomer separation and characterization: because it is supplied as a cis/trans mixture of isomers, the material works well as a practical sample for chromatographic separation and spectroscopic identification exercises.

Brand	TCI (product code D1279)
CAS number	932-51-4
Molecular formula	—
Purity	—
Category	Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes	—
Physical form	liquid; pack sizes are given in millilitres
Storage	keep tightly closed and follow the storage conditions on the TCI label and Safety Data Sheet

Composition: mixture of isomers (cis and trans forms)

Store 2,5-Dimethylcyclohexanone in its original, tightly sealed container in a cool, dry, well-ventilated area, away from heat sources, open flames, and strong oxidizing agents. Follow the storage temperature and any specific conditions stated on the TCI label and Safety Data Sheet. When transferring the liquid, use clean, dry glassware or chemically compatible containers, and reseal the bottle promptly after each use so the contents are not contaminated or lost through evaporation. Handle the material in a fume hood while wearing appropriate personal protective equipment, including safety glasses, a lab coat, and chemical-resistant gloves. Avoid inhalation of vapours and contact with skin and eyes. Dispose of residues and contaminated materials according to institutional and local chemical waste regulations.

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