1,6-diisocyanatohexane

C8H12N2O2

CAS822-06-0
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
Danger

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Identification

CAS Number
822-06-0
EC Number
212-485-8
UN Number
2281
Index Number
615-011-00-1
PubChem CID
13192

Physical-chemical properties

Molecular Formula
C8H12N2O2
Molar Mass
168.19 g/mol
IUPAC Name
1,6-diisocyanatohexane

Chemical Identifiers

InChI
InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
InChI Key
RRAMGCGOFNQTLD-UHFFFAOYSA-N

Overview

1,6-diisocyanatohexane (CAS 822-06-0) is an aliphatic diisocyanate compound with reactive isocyanate functional groups used primarily in polyurethane synthesis. This linear aliphatic diisocyanate represents an important building block in polymer chemistry, featuring two highly reactive isocyanate groups (-NCO) separated by a flexible hexamethylene chain. The compound's molecular structure (C8H12N2O2) provides excellent flexibility and durability characteristics when incorporated into polymer matrices, making it valuable for applications requiring superior mechanical properties and chemical resistance. Unlike aromatic isocyanates, 1,6-diisocyanatohexane offers enhanced UV stability and reduced yellowing tendencies, which are critical factors in coating and elastomer formulations. The substance exhibits significant hazardous properties requiring careful handling protocols. Classified under ADR Class 6.1 with GHS pictograms GHS06 and GHS08, it presents acute toxicity risks and potential for respiratory and skin sensitization. The "Danger" signal word reflects its classification as Acute Tox. 3, STOT SE 3, and its irritant properties affecting both skin and eyes. Proper ventilation, personal protective equipment, and trained personnel are essential for safe handling, as exposure can lead to serious health effects including respiratory sensitization. Industrial applications primarily focus on polyurethane production, where 1,6-diisocyanatohexane serves as a key component in manufacturing high-performance elastomers, coatings, and adhesives. The aerospace and automotive industries particularly value its contribution to lightweight, durable materials. Additionally, it finds use in specialty polymer synthesis where flexibility and weather resistance are paramount. While structurally different from aromatic compounds like N-methylaniline, both substances require similar precautionary measures due to their reactive nature and potential health hazards. OYSI provides reliable access to 1,6-diisocyanatohexane for European industrial customers, ensuring consistent quality and regulatory compliance for demanding applications.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; STOT SE 3; Skin Irrit. 2; Eye Irrit. 2; Resp. Sens. 1; Skin Sens. 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H331

Toxic if inhaled.

H335

May cause respiratory irritation.

H315

Causes skin irritation.

H319

Causes serious eye irritation.

H334

May cause allergy or asthma symptoms or breathing difficulties if inhaled.

H317

May cause an allergic skin reaction.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Inhalation

Toxic

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Eye Contact

Irritant

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number2281
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameHexamethylendiisocyanat
Marine PollutantNo

Frequently Asked Questions

What is 1,6-diisocyanatohexane?

1,6-diisocyanatohexane is an aliphatic diisocyanate compound with the molecular formula C8H12N2O2 and CAS number 822-06-0. This chemical belongs to the isocyanate family and has a molecular weight of 168.19 g/mol. It is classified as a hazardous substance with multiple health risks including acute toxicity, respiratory and skin sensitization, and irritation properties. The compound requires careful handling due to its dangerous classification and GHS06 and GHS08 pictograms indicating poison and health hazard warnings respectively.

What are the physical and chemical properties of 1,6-diisocyanatohexane?

1,6-diisocyanatohexane is typically a colorless to pale yellow liquid at room temperature with a characteristic pungent odor. The compound has a molecular weight of 168.19 g/mol and contains two reactive isocyanate groups (-NCO) that make it highly reactive with compounds containing active hydrogen atoms like water, alcohols, and amines. It has limited solubility in water but dissolves well in organic solvents. The compound is moisture-sensitive and can react vigorously with water, producing carbon dioxide and corresponding amines.

What is 1,6-diisocyanatohexane used for?

1,6-diisocyanatohexane is primarily used as a building block in polyurethane production, serving as a crosslinking agent for creating flexible and rigid polyurethane foams, elastomers, and coatings. It finds applications in the manufacture of adhesives, sealants, and specialty polymers where its aliphatic structure provides excellent UV resistance and color stability. The compound is also utilized in the production of polyurethane prepolymers and in surface coating formulations for automotive, construction, and industrial applications requiring durable, weather-resistant finishes.

How to handle 1,6-diisocyanatohexane safely?

1,6-diisocyanatohexane requires strict safety protocols including wearing appropriate respiratory protection (supplied air or appropriate gas mask), chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume extraction systems to prevent inhalation exposure. Avoid skin and eye contact completely, as the substance can cause sensitization and irritation. Personnel handling this chemical should be trained in isocyanate safety procedures and emergency response. Regular health surveillance is recommended for workers with potential exposure to this respiratory sensitizer.

How to store 1,6-diisocyanatohexane correctly?

1,6-diisocyanatohexane must be stored in tightly sealed original containers in a cool, dry, well-ventilated area away from moisture, heat sources, and incompatible materials. Keep containers away from water, alcohols, amines, and strong bases which can react violently with isocyanates. Storage areas should be equipped with appropriate spill containment and emergency equipment. Maintain storage temperatures as recommended by the manufacturer and ensure containers are properly labeled. Regular inspection of containers for damage or leaks is essential to prevent accidental exposure or environmental contamination.

What to do in case of contact with 1,6-diisocyanatohexane?

Skin contact with 1,6-diisocyanatohexane requires immediate removal of contaminated clothing and thorough washing with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes and seek medical attention. If inhaled, move the person to fresh air immediately and seek medical help if breathing difficulties occur. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician in any exposure case, especially due to the compound's sensitization potential and acute toxicity classification.

How to dispose of 1,6-diisocyanatohexane properly?

1,6-diisocyanatohexane disposal must comply with local and national hazardous waste regulations as it is classified as dangerous waste. The substance should be collected in appropriate containers and disposed of through licensed hazardous waste disposal facilities equipped to handle isocyanate compounds. Never dispose of this chemical down drains, in regular waste, or release to the environment. Small quantities can be carefully neutralized by reaction with suitable polyols under controlled conditions by trained personnel, but this should only be done following proper protocols and local regulations.

How to transport 1,6-diisocyanatohexane?

1,6-diisocyanatohexane is classified under ADR as Class 6.1 (Toxic substances), Packing Group II, indicating moderate toxicity requiring specific transport precautions. Packages must be properly labeled with appropriate hazard labels and meet UN packaging requirements for this classification. Transport vehicles must carry appropriate emergency equipment and documentation. Drivers need ADR certification for carrying toxic substances. The shipment must comply with quantity limitations and segregation requirements from incompatible materials during transport. Proper emergency response information must accompany the shipment at all times.

Is 1,6-diisocyanatohexane subject to specific regulations?

1,6-diisocyanatohexane is subject to REACH regulation requiring registration and compliance with safety data sheet provisions throughout the EU. Under CLP regulation, it must be classified and labeled according to its hazard profile including respiratory sensitization and acute toxicity warnings. The substance is not currently listed as an SVHC (Substance of Very High Concern). Users must implement appropriate risk management measures and may be subject to workplace exposure limits. Industrial users should verify compliance with local occupational health regulations and any sector-specific restrictions that may apply.

Where to buy 1,6-diisocyanatohexane in Europe?

1,6-diisocyanatohexane is available through OYSI, a specialized European distributor of industrial chemicals offering reliable supply chains across European markets. OYSI provides comprehensive technical support, proper documentation including safety data sheets, and ensures regulatory compliance for chemical distribution. As a professional chemical supplier, OYSI can assist with quantity requirements, packaging options, and delivery logistics while maintaining the strict safety and regulatory standards required for hazardous chemical distribution. Contact OYSI directly for availability, technical specifications, and regulatory documentation for your specific application requirements.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.