1,6-diisocyanato-5,6-dimethylheptane

C11H18N2O2

CAS28679-16-5
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
Danger

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Identification

CAS Number
28679-16-5
EC Number
241-001-8
UN Number
2328
Index Number
615-010-00-6
PubChem CID
3033881

Physical-chemical properties

Molecular Formula
C11H18N2O2
Molar Mass
210.27 g/mol
IUPAC Name
1,6-diisocyanato-5,6-dimethylheptane

Chemical Identifiers

InChI
InChI=1S/C11H18N2O2/c1-10(11(2,3)13-9-15)6-4-5-7-12-8-14/h10H,4-7H2,1-3H3
InChI Key
VZXPHDGHQXLXJC-UHFFFAOYSA-N

Overview

1,6-diisocyanato-5,6-dimethylheptane (CAS 28679-16-5) is an organic diisocyanate compound with branched aliphatic structure and reactive isocyanate functional groups. This specialized diisocyanate represents an important class of reactive chemical intermediates widely utilized in polymer chemistry and industrial manufacturing processes. With its molecular formula C11H18N2O2 and molecular weight of 210.27 g/mol, this compound features two highly reactive isocyanate groups (-NCO) attached to a branched heptane backbone containing two methyl substituents at positions 5 and 6. The unique structural configuration distinguishes it from simpler aromatic isocyanates and provides specific reactivity patterns valuable in specialized applications. The compound exhibits significant hazard characteristics requiring careful handling protocols. Classified under multiple danger categories including Acute Toxicity 3, Respiratory Sensitizer 1, and Specific Target Organ Toxicity Single Exposure 3, it demands strict safety measures during storage, handling, and processing. The substance can cause skin and eye irritation, respiratory sensitization, and poses acute toxicity risks through various exposure routes. Unlike simpler compounds such as N-methylaniline, diisocyanates require specialized ventilation systems and personal protective equipment due to their volatile nature and potential for respiratory sensitization. Primary industrial applications include polyurethane synthesis, where it serves as a crosslinking agent or chain extender in specialized formulations requiring enhanced mechanical properties. The compound finds use in high-performance coatings, adhesives, and elastomer production where its unique molecular structure imparts specific polymer characteristics. Additionally, it functions as an intermediate in the manufacture of specialty chemicals and advanced materials requiring precise molecular architecture. OYSI maintains reliable supply chains for 1,6-diisocyanato-5,6-dimethylheptane to support European industrial customers requiring this specialized diisocyanate for technical applications.

Safety & Classification

Danger
Classification:

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

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 Number2328
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameTrimethylhexamethylendiisocyanat
Marine PollutantNo

Frequently Asked Questions

What is 1,6-diisocyanato-5,6-dimethylheptane?

1,6-diisocyanato-5,6-dimethylheptane is an organic chemical compound with the molecular formula C11H18N2O2 and CAS number 28679-16-5. This diisocyanate compound has a molecular weight of 210.27 g/mol and belongs to the family of isocyanates, which are characterized by the presence of two reactive isocyanate groups (-NCO) in their structure. It is classified as a hazardous substance requiring careful handling due to its toxicity and sensitizing properties.

What are the physicochemical properties of 1,6-diisocyanato-5,6-dimethylheptane?

1,6-diisocyanato-5,6-dimethylheptane is a chemical compound with molecular formula C11H18N2O2 and molecular weight 210.27 g/mol. As a diisocyanate, it typically exists as a liquid at room temperature with characteristic properties of isocyanate compounds. Like other isocyanates, it is likely to have low water solubility and may react with moisture. The compound's branched alkyl chain structure with methyl substituents influences its physical properties and reactivity profile.

What is 1,6-diisocyanato-5,6-dimethylheptane used for?

1,6-diisocyanato-5,6-dimethylheptane is primarily used as a chemical intermediate in the production of polyurethanes and related materials. Its dual isocyanate functionality makes it valuable for creating cross-linked polymer networks, coatings, adhesives, and elastomers. The compound may also serve as a building block in specialty chemical synthesis where its unique branched structure provides specific performance characteristics. Industrial applications typically involve controlled manufacturing environments due to its hazardous nature.

How to handle 1,6-diisocyanato-5,6-dimethylheptane safely?

1,6-diisocyanato-5,6-dimethylheptane requires strict safety measures due to its classification as Acute Tox. 3, respiratory sensitizer, and irritant. Essential protective equipment includes respiratory protection to prevent inhalation, chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume extraction systems. Avoid skin and eye contact, and prevent inhalation of vapors. Training on isocyanate handling procedures is essential before use.

How to store 1,6-diisocyanato-5,6-dimethylheptane correctly?

1,6-diisocyanato-5,6-dimethylheptane should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from moisture and heat sources. Keep containers away from incompatible materials such as water, alcohols, amines, and strong bases, which can react with isocyanate groups. Storage areas should be equipped with appropriate ventilation systems and spill containment measures. Regular container inspection is recommended to ensure integrity and prevent leakage.

What to do in case of contact with 1,6-diisocyanato-5,6-dimethylheptane?

Immediate action is required for any contact with 1,6-diisocyanato-5,6-dimethylheptane. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. In case of eye contact, flush immediately with plenty of water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical care. Always consult a physician after exposure, especially given its respiratory sensitizing properties.

How to dispose of 1,6-diisocyanato-5,6-dimethylheptane appropriately?

1,6-diisocyanato-5,6-dimethylheptane must be disposed of as hazardous waste according to local and national regulations. Contact licensed hazardous waste disposal companies for proper collection and treatment. Do not pour down drains or dispose of with regular waste. Small quantities may require neutralization with appropriate agents before disposal. Containers should be completely emptied and may require special handling. Always follow local environmental regulations and consult with waste management specialists for specific disposal requirements.

How to transport 1,6-diisocyanato-5,6-dimethylheptane?

1,6-diisocyanato-5,6-dimethylheptane is classified under ADR as Class 6.1 (toxic substances), Packing Group III for transport purposes. Transportation requires appropriate UN-approved packaging, proper labeling with GHS06 and GHS08 pictograms, and accompanying transport documents. Vehicles must comply with ADR regulations for toxic substances. Drivers require ADR training certification, and emergency response information must be available during transport. Professional logistics companies experienced in hazardous material transport should handle shipments.

Is 1,6-diisocyanato-5,6-dimethylheptane subject to specific regulations?

1,6-diisocyanato-5,6-dimethylheptane is subject to various European regulations including REACH registration requirements and CLP classification as a hazardous substance. It displays GHS06 and GHS08 pictograms with signal word 'Danger' due to its toxicity and health hazards. The compound is not currently listed as a SVHC (Substance of Very High Concern). Industrial users must comply with occupational exposure limits, worker protection measures, and proper risk assessment procedures under relevant health and safety legislation.

Where to buy 1,6-diisocyanato-5,6-dimethylheptane in Europe?

1,6-diisocyanato-5,6-dimethylheptane is available through OYSI, a specialized European distributor of industrial chemicals. OYSI provides this compound to professional users across Europe with appropriate documentation, safety data sheets, and regulatory compliance support. As a hazardous chemical requiring specialized handling, it is typically available only to qualified industrial customers with proper facilities and expertise. Contact OYSI directly for availability, technical specifications, and regulatory guidance for your specific application requirements.

Data Sources

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