Trimethylhexamethylene Diisocyanate (2,2,4- and 2,4,4- mixture) TCI T1176

Chemical Identity

CAS No.: 32052-51-0
PubChem: CID 21987741·SID 87576959
Formula: C22H36N4O4
Molecular weight: 420.5 g/mol
Purity: >97.0%(GC)

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 1,6-diisocyanato-2,2,4-trimethylhexane;1,6-diisocyanato-2,4,4-trimethylhexane
SMILES: CC(CCN=C=O)CC(C)(C)CN=C=O.CC(CC(C)(C)CCN=C=O)CN=C=O
InChIKey: XLRHAAFCQUDHHF-UHFFFAOYSA-N

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TCI T1176 Trimethylhexamethylene Diisocyanate is a mixture of the 2,2,4- and 2,4,4- isomers of an aliphatic diisocyanate. In materials science it is classed among the monomers used to build polymers and macromolecules. Its main role in the laboratory is as a building block for polyurethanes. Both isocyanate groups can react with hydroxyl or amine groups to form urethane or urea linkages, which connect polymer chains into the final material. For researchers, this makes it a practical starting point for studying how monomer structure shapes the behavior of a polyurethane.

Because its backbone is aliphatic, this type of diisocyanate is commonly chosen when researchers want a polyurethane that contains no aromatic rings. The isomer mixture carries methyl branches, which can affect how closely the polymer chains pack together. This may in turn influence the solubility and flexibility of the resulting polymer. The isocyanate groups are highly reactive toward water, alcohols, and amines, so the material must be kept dry. Many materials researchers also choose the TCI brand because it is supplied for research use.

In Indonesian laboratories, this reagent is relevant to research groups working on polymers, coatings, adhesives, and elastomers who develop polyurethane formulations on a small scale. Pack sizes of 25 mL, 100 mL, and 500 mL allow users to choose a quantity that fits their needs, from initial feasibility tests to repeated formulation work. AMI Scientific supplies it as a research reagent for these university, institute, and industrial R&D settings.

TCI brochures (PDF)

Biomaterials Research Reagents 2025-02-19 · p. 17
Monomers 2025-05-28 · p. 28

Related TCI products

Polyurethane synthesis: the two isocyanate groups react with hydroxyl groups on polyols to form urethane linkages, so this monomer can serve as the chain-linking component in small-scale polymer preparation.
Polyurea formation: reaction of the isocyanate groups with amines produces urea linkages, which makes this diisocyanate suitable for researchers studying polymers built on urea-based connections between chains.
Aliphatic polyurethane research: because the backbone contains no aromatic ring, it suits studies that specifically require a polyurethane free of aromatic groups in the polymer structure.
Coating and adhesive formulation: research groups developing polyurethane-based coatings and adhesives can use it as a reactive component when testing how the monomer influences the properties of the formulation.
Elastomer development: the methyl-branched isomer mixture may affect chain packing, so it is of interest to groups examining how monomer structure influences the flexibility and solubility of elastomeric polymers.

Brand	TCI (product code T1176)
CAS number	32052-51-0
Molecular formula	—
Purity	—
Category	Materials Science > Polymer/Macromolecule Reagents > Monomers
Pack sizes	25 mL, 100 mL, 500 mL
Physical form	—
Storage	keep tightly closed and protected from moisture

Composition: mixture of 2,2,4- and 2,4,4- isomers

Isocyanate groups react readily with water, alcohols, and amines, so this reagent should be stored tightly closed in a dry place, away from moisture and from incompatible chemicals. Keep the original container sealed whenever it is not in use, and avoid leaving it open to humid air. Handle it in a well-ventilated area or a fume hood, and wear suitable gloves, eye protection, and a laboratory coat. Use dry glassware and dry transfer tools to prevent unwanted reactions. Always consult the safety data sheet supplied with the product for specific hazard information, storage temperature, and disposal requirements before use.

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