Toluene Diisocyanate, Tolylene Diisocyanate, Methylphenylene Diisocyanate, TDI Isocyanate, TDI 80/20, TDI 80, 26471-62-5

TOLUENE DIISOCYANATE (TDI 80/20)

PRODUCT IDENTIFICATION INFORMATION

CHEMICAL STRUCTURE

    TDI 80/20 Isomer Mixture

    2,4-TDI (80%)              2,6-TDI (20%)
    
       NCO                        NCO
        |                          |
    CH₃—C₆H₃—NCO              CH₃—C₆H₃—NCO
        |                          |
       NCO                        NCO
    
    Toluene Diisocyanate (TDI)
    Isomer Mixture

Molecular Formula: C₉H₆N₂O₂
SMILES: O=C=NC1=CC(C)=C(N=C=O)C=C1 (2,4-TDI)
InChI: InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
Synonyms: Tolylene Diisocyanate, Methylphenylene Diisocyanate, TDI Isocyanate, TDI 80, 2,4-Diisocyanato-1-methylbenzene

SECTION 1: CHEMICAL IDENTITY AND DEFINITION

SECTION 2: PHYSICAL AND CHEMICAL PROPERTIES

SECTION 3: CHEMICAL PROPERTIES AND REACTIVITY

SECTION 4: COMPARISON OF COMMON ISOCYANATE COMPOUNDS

SECTION 5: PRODUCTION METHODS

Method 1: Phosgenation Method (Main Industrial Method)

• Reaction: Toluene diamine (TDA) + Phosgene (COCl₂) → TDI + 4HCl

• Description: Toluene diamine is reacted with phosgene; Toluene diisocyanate and hydrogen chloride are formed; This method accounts for over 90% of worldwide TDI production

• Process Steps:

  1. TDA dissolution in inert solvent

  2. Low-temperature phosgenation reaction (carbamoyl chloride formation)

  3. High-temperature reaction (TDI formation)

  4. Purification by distillation

  5. Isomer separation and 80/20 mixture preparation

Method 2: Carbonylation Method (Emerging Technology)

• Reaction: Dinitrotoluene + CO → TDI (in presence of catalyst)

• Description: Direct carbonylation of dinitrotoluene with carbon monoxide; Phosgene-free process; More environmentally friendly; Not yet widely adopted

Method 3: Dimethyl Carbonate Method (Phosgene-Free Process)

• Reaction: TDA + Dimethyl carbonate → TDI + Methanol

• Description: Toluene diamine is reacted with dimethyl carbonate; Phosgene-free alternative; Under development

SECTION 6: FUNCTIONAL PROPERTIES AND MECHANISM OF ACTION

SECTION 7: MAIN APPLICATION AREAS

SECTION 8: QUALITY SPECIFICATIONS (TDI 80/20)

SECTION 9: TOXICOLOGICAL PROFILE

SECTION 10: GHS CLASSIFICATION AND LABELING

GHS Classification (Compliant with CLP and UN GHS):

Signal Word: DANGER

Hazard Pictograms: GHS06 (Skull and Crossbones), GHS08 (Health Hazard), GHS05 (Corrosion), GHS09 (Environment)

Hazard Statements (H-Codes):

NFPA 704 Hazard Classification:

SECTION 11: PRECAUTIONARY STATEMENTS (P-CODES)

SECTION 12: FIRST AID MEASURES

SECTION 13: FIREFIGHTING MEASURES

SECTION 14: STORAGE AND SHELF LIFE

SECTION 15: PACKAGING OPTIONS

SECTION 16: TRANSPORT INFORMATION

SECTION 17: REGULATORY STATUS

SECTION 18: OTHER NAMES AND SYNONYMS

SECTION 19: SUMMARY TABLE

SECTION 20: CRITICAL WARNINGS AND BEST PRACTICES

CRITICAL WARNINGS:

• Fatal if inhaled (H330). High acute toxicity. Do not breathe vapors.

• May cause allergy or asthma symptoms or breathing difficulties if inhaled (H334). Strong respiratory sensitizer. Respiratory protection is MANDATORY.

• Suspected of causing cancer (H351). Minimize exposure.

• May cause an allergic skin reaction (H317). Skin sensitizer. Avoid skin contact.

• Causes serious eye damage (H318). Use eye protection.

• Reacts violently with water. Forms CO₂ gas and causes pressure build-up/explosion risk in closed containers. DO NOT USE WATER.

• Combustible liquid (Class IIIB). Keep away from heat and flame sources.

• Polymerizes in contact with moisture. Store in nitrogen-inerted containers.

• Incompatibilities: PE and PP plastic containers MUST NOT BE USED (causes degradation and leakage). Keep away from water, moisture, alkalies, bases, alcohols, amines, acids, and metals.

• Sensitization Risk: Once sensitized, even very low level exposure can trigger severe asthma attacks. Asthma symptoms may be delayed (RADS - Reactive Airway Dysfunction Syndrome).

• Hygiene Requirement: Contaminated clothing should not be allowed out of the workplace.

• Storage Temperature: Do not allow to fall below 18°C (crystallization). Recommended: 20°C - 35°C.

BEST PRACTICE RECOMMENDATIONS:

• Furniture and Bedding Industry: Use in flexible slabstock and molded polyurethane foam production; Provides softness and high load-bearing capacity; Achieve optimum foam properties with appropriate catalyst, stabilizer, and flame retardant selection.

• Automotive Industry: Use in steering wheel coatings, seat cushioning, acoustic foams, and bumper elastomers; Use automotive-grade TDI quality; Control VOC emissions.

• Coatings and Adhesives: Use in high-performance polyurethane varnishes, moisture-cure sealants, and industrial adhesives; Monitor isocyanate content; Ensure adequate ventilation during use.

• Handling: Use ONLY in closed systems and with adequate ventilation; Fume hood or local exhaust ventilation is MANDATORY; Avoid dust formation.

• Personal Protective Equipment: Butyl or Viton gloves, full-face respirator (organic vapor/P1 filter), chemical protective suit, safety shower and eyewash station MUST be available.

• Respiratory Protection: NIOSH-approved full-face mask/P1 filter for organic vapors; Supplied-air respirator (SCBA) if ventilation is inadequate.

• Hygiene: Do not eat, drink, or smoke when using; Wash hands thoroughly after handling; Do not take contaminated working clothes home; Shower at the end of the work shift.

• Storage: Store in stainless steel or carbon steel containers, inerted with dry nitrogen (N₂) gas; Store at 20°C-35°C; Do not allow to fall below 18°C; PE or PP plastic containers MUST NOT BE USED.

• Spill Response: Do not breathe vapors; Wear full PPE; Absorb spill with inert material (sand, vermiculite); DO NOT USE WATER; Place in closed containers; Do not allow to enter drains or waterways.

• Disposal: Dispose of in accordance with local, regional, and national regulations; Do not discharge into sewers or water sources; TDI is regulated as hazardous waste.

• Emergency: In case of exposure, immediately call a POISON CENTER/doctor; Respiratory symptoms may be delayed; Medical observation is essential.

SPECIAL NOTE ON WATER REACTIVITY:

TDI reacts violently with water:

• Reaction: R-NCO + H₂O → R-NH₂ + CO₂

• CO₂ Formation: Carbon dioxide gas is formed and causes pressure build-up in closed containers

• Explosion Risk: Excessive pressure in closed containers can cause explosion

• Precaution: DO NOT USE WATER; All equipment and containers must be dry; Nitrogen inerting is MANDATORY

Key Safety Rules:

• NEVER use water on TDI fires

• All containers must be dry

• Store in nitrogen (N₂) inerted containers

• Do not open in humid environments

SPECIAL NOTE ON SENSITIZATION RISK:

TDI is a strong respiratory sensitizer:

• Sensitization Development: Respiratory sensitization develops with repeated exposure

• Asthma Attacks: Once sensitized, even very low level exposure can trigger severe asthma attacks

• Delayed Symptoms: Asthma symptoms may occur hours after exposure (delayed asthma)

• RADS: Reactive Airway Dysfunction Syndrome may develop

• Precaution: Minimize exposure; Respiratory protection is MANDATORY; Provide regular medical surveillance

LEGAL DISCLAIMER:

The information provided in this document is based on our current knowledge and experience and is presented in good faith. However, as all conditions of use are beyond our control, this document does not constitute a binding specification or warranty. This Technical Data Sheet is for informational purposes only. Users are responsible for testing suitability for their own applications. For complete safety, storage, handling, transportation, waste, and regulatory compliance information, please refer to the official Safety Data Sheet (SDS/MSDS) provided by the manufacturer/supplier.