1,6-diisocyanato-5,6-dimethylheptane
C11H18N2O2
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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 aliphatic diisocyanate compound with branched chain structure and dual reactive isocyanate functional groups. This specialized diisocyanate represents an important building block in polyurethane chemistry, characterized by its unique molecular structure featuring two methyl substituents on the heptane backbone. With the molecular formula C11H18N2O2 and molecular weight of 210.27 g/mol, this compound exhibits the typical reactivity profile of diisocyanates while offering distinct performance characteristics due to its branched aliphatic structure. The compound's safety profile requires careful handling protocols, as it carries significant hazard classifications including acute toxicity (Category 3), respiratory sensitization (Category 1), and specific target organ toxicity. The presence of GHS06 and GHS08 pictograms along with the "Danger" signal word emphasizes the need for appropriate personal protective equipment and engineering controls during handling and processing. In industrial applications, 1,6-diisocyanato-5,6-dimethylheptane serves primarily as a crosslinking agent in polyurethane formulations, contributing to enhanced flexibility and durability in coating systems. Its branched structure provides unique properties compared to linear diisocyanates, making it valuable in specialty adhesive formulations where specific mechanical properties are required. The compound also finds application in the production of high-performance elastomers where controlled crosslink density is critical. Unlike aromatic compounds such as N-methylaniline, this aliphatic diisocyanate offers superior UV stability and non-yellowing characteristics, making it particularly suitable for outdoor applications and light-colored formulations. OYSI maintains reliable supply chains for 1,6-diisocyanato-5,6-dimethylheptane to support European industrial customers requiring consistent quality and technical support for their polyurethane applications.
Safety & Classification
Acute Tox. 3 *; STOT SE 3; Skin Irrit. 2; Eye Irrit. 2; Resp. Sens. 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
Measures if vapours or dust are inhaled
Skin Contact
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
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 Number | 2328 |
| ADR Class | 6.1 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | Trimethylhexamethylendiisocyanat |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1,6-diisocyanato-5,6-dimethylheptane?
1,6-diisocyanato-5,6-dimethylheptane is an organic diisocyanate compound with the molecular formula C11H18N2O2 and CAS number 28679-16-5. This chemical belongs to the isocyanate family, characterized by two reactive NCO functional groups attached to a branched heptane chain with methyl substituents. With a molecular weight of 210.27 g/mol, it is classified as a hazardous substance requiring careful handling due to its toxicity and sensitization properties.
What are the physico-chemical properties of 1,6-diisocyanato-5,6-dimethylheptane?
1,6-diisocyanato-5,6-dimethylheptane is typically a liquid at room temperature with characteristic isocyanate properties. Like other diisocyanates, it is highly reactive with compounds containing active hydrogen atoms, particularly water, alcohols, and amines. The compound is moisture-sensitive and will react with atmospheric humidity to form urea linkages. It exhibits typical isocyanate odor and should be handled with appropriate ventilation systems to prevent inhalation exposure.
What is 1,6-diisocyanato-5,6-dimethylheptane used for?
1,6-diisocyanato-5,6-dimethylheptane is primarily used as a building block in polyurethane chemistry for producing specialized polymers, coatings, and adhesives. Its branched structure provides unique properties in polyurethane formulations, offering improved flexibility and specific mechanical characteristics. The compound may be utilized in high-performance applications where standard linear diisocyanates cannot meet specific requirements, particularly in automotive, aerospace, or specialty coating applications requiring enhanced durability and chemical resistance.
How to handle 1,6-diisocyanato-5,6-dimethylheptane safely?
1,6-diisocyanato-5,6-dimethylheptane requires strict safety protocols including respiratory protection with appropriate cartridge filters, chemical-resistant gloves, and eye protection. Work must be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure, as it is classified as Resp. Sens. 1. Avoid skin and eye contact due to its irritating properties (Skin Irrit. 2, Eye Irrit. 2). Personnel should be trained in isocyanate handling procedures and emergency response protocols.
How to store 1,6-diisocyanato-5,6-dimethylheptane correctly?
1,6-diisocyanato-5,6-dimethylheptane must be stored in tightly sealed containers in a cool, dry place away from moisture, heat sources, and incompatible materials. The storage area should be well-ventilated and equipped with appropriate spill containment measures. Keep away from alcohols, amines, strong bases, and water which can react violently with isocyanates. Original containers should be kept sealed when not in use, and storage temperatures should be controlled to prevent degradation or pressure buildup.
What to do in case of contact with 1,6-diisocyanato-5,6-dimethylheptane?
1,6-diisocyanato-5,6-dimethylheptane exposure requires immediate first aid measures. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. In case of eye contact, flush immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air immediately and seek medical help if breathing difficulties occur. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician after any significant exposure.
How to dispose of 1,6-diisocyanato-5,6-dimethylheptane properly?
1,6-diisocyanato-5,6-dimethylheptane must be disposed of as hazardous waste according to local and European regulations. The material cannot be disposed of in regular waste streams due to its toxicity classification (Acute Tox. 3). Contact licensed hazardous waste disposal companies for proper treatment and destruction. Small quantities may be neutralized by controlled reaction with appropriate alcohols under professional supervision, but this should only be performed by trained personnel with proper safety equipment and environmental controls.
How to transport 1,6-diisocyanato-5,6-dimethylheptane?
1,6-diisocyanato-5,6-dimethylheptane is classified under ADR Class 6.1 (Toxic substances), Packing Group III for transport purposes. Shipments must comply with dangerous goods regulations including proper packaging, labeling with GHS06 and GHS08 pictograms, and documentation requirements. Vehicles must carry appropriate safety equipment and drivers need ADR certification. The substance requires proper packaging that prevents leakage and protects against physical damage during transport while maintaining proper ventilation to prevent vapor accumulation.
Is 1,6-diisocyanato-5,6-dimethylheptane subject to specific regulations?
1,6-diisocyanato-5,6-dimethylheptane is subject to REACH regulation requiring registration for manufacture or import above certain tonnages. Under CLP regulation, it must be classified and labeled according to its hazard properties (Acute Tox. 3, STOT SE 3, Skin Irrit. 2, Eye Irrit. 2, Resp. Sens. 1). The substance is not currently listed as SVHC but requires compliance with occupational exposure limits and industrial emissions regulations. Users must implement appropriate risk management measures and maintain safety data sheets.
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 technical chemicals. OYSI provides this specialty diisocyanate to industrial customers with proper documentation including safety data sheets and certificates of analysis. As a regulated hazardous substance, purchases require verification of intended use and proper handling capabilities. Contact OYSI directly for availability, technical specifications, and regulatory compliance documentation to ensure proper procurement and handling procedures.
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1,6-diisocyanato-5,6-dimethylheptane is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.