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 diisocyanate represents an important building block in the chemical industry, particularly valued for its role in producing specialized polyurethane materials. With its molecular formula C8H12N2O2 and molecular weight of 168.19 g/mol, 1,6-diisocyanatohexane features two highly reactive isocyanate groups (-NCO) separated by a flexible six-carbon aliphatic chain. This structural arrangement provides unique properties that distinguish it from aromatic alternatives, offering enhanced UV stability and reduced yellowing tendencies in final polymer products. The compound's classification under multiple hazard categories, including Acute Toxicity Category 3, Respiratory Sensitizer Category 1, and Skin Sensitizer Category 1, necessitates careful handling protocols and appropriate safety measures. The presence of GHS06 and GHS08 pictogrammes emphasizes the serious health hazards associated with exposure, requiring specialized storage and handling procedures typical of Class 6.1 ADR materials. In industrial applications, 1,6-diisocyanatohexane serves primarily in the manufacture of high-performance polyurethane elastomers, coatings, and adhesives where flexibility and durability are paramount. It finds particular utility in producing transparent polyurethane films and specialty coatings that require excellent weathering resistance. The automotive and aerospace industries frequently specify materials derived from aliphatic diisocyanates like this compound for exterior applications, contrasting with products based on aromatic compounds such as N-methylaniline derivatives that may exhibit different stability profiles. OYSI maintains strategic inventory of 1,6-diisocyanatohexane to support European manufacturers requiring reliable access to this specialized diisocyanate for their polyurethane production processes.

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 features two reactive isocyanate groups connected by a six-carbon chain, making it a valuable building block in polymer chemistry. With a molecular weight of 168.19 g/mol, it belongs to the family of diisocyanates used primarily in polyurethane production. The compound is classified as hazardous with multiple safety concerns including acute toxicity and sensitization properties.

What are the physicochemical 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 highly reactive isocyanate functional groups. It is generally insoluble in water but soluble in organic solvents. The presence of isocyanate groups makes it moisture-sensitive, readily reacting with water to form urea linkages and carbon dioxide. Its aliphatic structure provides flexibility compared to aromatic diisocyanates.

What is 1,6-diisocyanatohexane used for?

1,6-diisocyanatohexane is primarily used as a curing agent and crosslinking component in polyurethane production. It serves as a key raw material for manufacturing flexible polyurethane foams, elastomers, coatings, and adhesives. The compound is particularly valuable in applications requiring good light stability and color retention due to its aliphatic structure. Industrial applications include automotive components, construction materials, and specialty chemical production where its bifunctional reactivity enables polymer chain extension and crosslinking reactions.

How to handle 1,6-diisocyanatohexane safely?

1,6-diisocyanatohexane must be handled with extreme caution due to its acute toxicity and sensitization potential. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection to prevent inhalation exposure. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact completely, as the compound can cause irritation and sensitization. Training on isocyanate handling procedures is mandatory, and emergency shower/eyewash stations should be readily accessible in work areas.

How to store 1,6-diisocyanatohexane correctly?

1,6-diisocyanatohexane should be stored in tightly sealed containers in a cool, dry place away from moisture and heat sources. The storage area must be well-ventilated and protected from direct sunlight. Keep the compound away from water, alcohols, amines, and other nucleophilic substances that can react with isocyanate groups. Storage temperatures should remain stable to prevent degradation. Containers should be made of compatible materials and properly labeled according to GHS requirements with appropriate hazard pictogrammes including GHS06 and GHS08.

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

1,6-diisocyanatohexane exposure requires immediate first aid measures due to its acute toxicity and irritant properties. For skin contact, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes and seek medical attention. If inhaled, move the person to fresh air immediately and provide respiratory support if needed. For ingestion, do not induce vomiting and seek immediate medical care.

How to dispose of 1,6-diisocyanatohexane properly?

1,6-diisocyanatohexane must be disposed of as hazardous waste according to local and European waste regulations. The compound cannot be disposed of in regular waste streams due to its toxic and reactive properties. Disposal should be handled by licensed hazardous waste contractors who can properly treat or incinerate the material at high temperatures. Empty containers may still contain residues and require special handling. Consult local environmental authorities for specific disposal requirements and ensure compliance with waste classification codes for isocyanate-containing materials.

How to transport 1,6-diisocyanatohexane?

1,6-diisocyanatohexane is classified as dangerous goods under ADR regulations, falling under Class 6.1 (toxic substances) with Packing Group II. Transport requires appropriate UN-approved packaging and proper hazard labeling including toxic substance markings. Shipping documentation must include the correct UN number, proper shipping name, and hazard class information. Carriers must be trained in dangerous goods handling, and emergency response information should accompany shipments. Temperature control may be necessary to maintain product stability during transport.

Is 1,6-diisocyanatohexane subject to specific regulations?

1,6-diisocyanatohexane is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification as Acute Tox. 3, STOT SE 3, and various irritation/sensitization categories. The compound carries the 'Danger' signal word with GHS06 and GHS08 pictogrammes. While not currently listed as a SVHC (Substance of Very High Concern), it requires strict workplace exposure controls. Industrial users must implement risk management measures and may need to restrict access due to its respiratory and skin sensitization properties.

Where to buy 1,6-diisocyanatohexane in Europe?

1,6-diisocyanatohexane is available through OYSI, a specialized European distributor of technical chemicals and industrial raw materials. OYSI provides this compound to qualified industrial customers across Europe, ensuring proper handling, documentation, and regulatory compliance. Due to the hazardous nature of this material, purchases typically require verification of proper facilities, trained personnel, and appropriate safety measures. Contact OYSI directly for availability, technical specifications, and regulatory support for your specific application requirements in polyurethane or specialty chemical manufacturing.

Data Sources

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