1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene

1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene is an aromatic isocyanate compound with the molecular formula C13H15NO and CAS number 2094-99-7. This chemical belongs to the isocyanate family, characterized by the presence of the highly reactive -NCO functional group. With a molecular weight of 201.26 g/mol, it features both an isocyanate group and an allyl substituent on a benzene ring, making it a versatile building block in polymer chemistry and specialty chemical applications.

1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene is typically a liquid at room temperature with a characteristic pungent odor typical of isocyanates. As an organic compound with a molecular weight of 201.26 g/mol, it exhibits limited water solubility due to its aromatic and aliphatic hydrocarbon structure. The compound is likely soluble in organic solvents such as toluene, acetone, and other non-polar solvents. Its reactivity is dominated by the highly electrophilic isocyanate functional group.

1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene serves as an intermediate in the synthesis of polyurethanes, coatings, and adhesives. The isocyanate group readily reacts with compounds containing active hydrogen atoms (alcohols, amines) to form urethane and urea linkages. Its dual functionality, featuring both isocyanate and vinyl groups, makes it valuable for producing crosslinked polymers and specialty materials. Applications include automotive coatings, industrial adhesives, and high-performance polymer systems where chemical resistance and durability are required.

1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene requires strict safety measures due to its acute toxicity (Acute Tox. 2) and respiratory sensitization properties. Essential PPE includes respiratory protection with appropriate filters, chemical-resistant gloves (nitrile or neoprene), safety goggles, and protective clothing. Work must be conducted in well-ventilated areas or under fume hoods. Avoid skin contact and inhalation as the compound can cause severe respiratory and skin sensitization. Training on isocyanate handling procedures is mandatory for personnel.

1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene must be stored in tightly sealed containers in a cool, dry place away from moisture and heat sources. The compound should be kept below 25°C and protected from humidity as isocyanates react with water, forming carbon dioxide and potentially causing container pressure buildup. Storage areas must be well-ventilated and segregated from incompatible materials like alcohols, amines, and strong bases. Use only approved containers and implement proper inventory rotation to maintain product quality.

Immediate action is critical following contact with 1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene due to its corrosive properties (Skin Corr. 1B). For skin contact, immediately remove contaminated clothing and flush affected area with copious amounts of water for at least 15 minutes. In case of eye contact, rinse thoroughly with water and seek immediate medical attention. If inhaled, move person to fresh air immediately. Given the compound's acute toxicity and sensitization potential, always seek medical attention promptly and provide safety data sheet to medical personnel.

1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene must be disposed of as hazardous waste through licensed waste management companies due to its acute toxicity and environmental hazard classification (Aquatic Acute 1). The compound cannot be discharged into sewers or the environment. Disposal methods include high-temperature incineration in approved facilities with appropriate emission controls. Empty containers should be treated as hazardous waste. All disposal activities must comply with local, national, and EU waste regulations including the Waste Framework Directive.

1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene is classified as ADR Class 6.1 (toxic substances), Packing Group II, requiring specialized dangerous goods transportation procedures. Packages must bear appropriate hazard labels (toxic) and comply with ADR packaging requirements for Class 6.1 materials. Transport vehicles need proper placarding and drivers must hold ADR certification. Shipping documents must include the proper shipping name and UN identification number. Emergency response information must accompany shipments, and transport must follow designated routes where applicable.

1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene is subject to extensive EU chemical regulations including REACH registration requirements and CLP classification obligations. While not currently listed as an SVHC (Substance of Very High Concern), its classification as Acute Tox. 2, respiratory sensitizer, and skin corrosive substance triggers specific labeling, safety data sheet, and risk management requirements. Industrial users must implement appropriate risk management measures and may need to notify authorities depending on usage quantities and applications under various sectoral legislation.

1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene is available through OYSI, a specialized European distributor of technical chemicals and intermediates. OYSI provides this compound to qualified industrial customers with proper handling capabilities and regulatory compliance. As a controlled substance requiring specialized handling, purchases are restricted to professional users with appropriate safety infrastructure and training. Contact OYSI's technical sales team for availability, specifications, and regulatory documentation including safety data sheets and certificates of analysis for your specific application requirements.