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CAS 4460-02-0

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Methyl 2,6-diisocyanatohexanoate

Description:
Methyl 2,6-diisocyanatohexanoate, with the CAS number 4460-02-0, is an organic compound characterized by the presence of two isocyanate functional groups (-N=C=O) attached to a hexanoate chain. This compound is typically a colorless to pale yellow liquid with a pungent odor. It is known for its reactivity, particularly in forming polyurethanes through polymerization reactions with polyols. Methyl 2,6-diisocyanatohexanoate is soluble in organic solvents but has limited solubility in water due to its hydrophobic hexanoate chain. The compound is classified as hazardous, as it can cause respiratory irritation and skin sensitization upon exposure. Proper handling and safety precautions are essential when working with this substance, including the use of personal protective equipment and adequate ventilation. Its applications are primarily found in the production of coatings, adhesives, and elastomers, where its isocyanate groups play a crucial role in cross-linking and enhancing material properties.
Formula:C9H12N2O4
InChI:InChI=1S/C9H12N2O4/c1-15-9(14)8(11-7-13)4-2-3-5-10-6-12/h8H,2-5H2,1H3
InChI key:InChIKey=AYLRODJJLADBOB-UHFFFAOYSA-N
SMILES:C(CCCCN=C=O)(C(OC)=O)N=C=O
Synonyms:
  • Hexanoic acid, 2,6-diisocyanato-, methyl ester
  • Lysine diisocyanate methyl ester
  • Lysine methyl ester diisocyanate
  • Methyl 2,6-diisocyanatocaproate
  • Methyl α,ε-diisocyanatocaproate
  • Methyl-2,6-diisocyanato-caproat diisocyanoto hexenoate
  • Methyl 2,6-diisocyanatohexanoate
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