1,6-Diisocyanato-5,6-dimethylheptane

Basic Information

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CAS Number

28679-16-5

Molecular Formula

C11H18N2O2

Molecular Weight

210.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

149°C

Refractive Index

1.4620 to 1.4640

SMILES

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CC(CCCCN=C=O)C(C)(C)N=C=O

InChI

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

InChIKey

VZXPHDGHQXLXJC-UHFFFAOYSA-N

LogP

2.24300

Complexity

266

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

对热和湿度敏感

Synonyms & References

English

Hexane,1,6-diisocyanatotrimethyl-
Trimethylhexamethylene Diisocyanate (2,2,4- and 2,4,4- mixture)
Trimethylhexamethylene Diisocyanate (2,2,4- and 2,4,4- mixture),TMDI
1,6-diisocyanatotrimethylhexane
Diisocyanatotrimethylhexyl
Einecs 249-151-6
Hexane,1,6-diisocyanatotrimethyl
TMDI
trimethylhexa-1,6-diyl diisocyanate
Trimethylhexa-1,6-diyldiisocyanat
trimethylhexamethyleneisocyanate
Un2328
Trimethylhexamethylene diisocyanate
Trimethylhexamethylene isocyanate

MDL Number

MFCD00040422

FAQ

What are the physical and chemical properties of 1,6-Diisocyanato-5,6-dimethylheptane (CAS: 28679-16-5)?

1,6-Diisocyanato-5,6-dimethylheptane is a colorless to pale yellow liquid with a molecular weight of approximately 240.29 g/mol. It is moderately soluble in common organic solvents such as ethanol and acetone but insoluble in water. The compound is highly reactive due to the presence of isocyanate groups, making it suitable for polymer synthesis. It has a pungent odor and is flammable.

How is 1,6-Diisocyanato-5,6-dimethylheptane (CAS: 28679-16-5) typically synthesized?

1,6-Diisocyanato-5,6-dimethylheptane can be synthesized via the reaction of diphenylmethane diisocyanate (MDI) with dimethylheptanedioic anhydride. The synthesis typically involves the stepwise introduction of isocyanate groups to the unsaturated hydrocarbon, followed by a condensation reaction. Common catalysts include tertiary amines, and the process yields a high purity product with excellent selectivity.

What industries use 1,6-Diisocyanato-5,6-dimethylheptane (CAS: 28679-16-5)?

1,6-Diisocyanato-5,6-dimethylheptane is primarily used in the chemical industry, particularly in the production of polyurethane prepolymers. It finds applications in the manufacture of flexible foams, coatings, adhesives, and elastomers. Additionally, it is used in the production of specialty polymers and as a monomer for various functional materials, including those for sensors and semiconductors.

What precautions should be taken when handling 1,6-Diisocyanato-5,6-dimethylheptane (CAS: 28679-16-5)?

When handling 1,6-Diisocyanato-5,6-dimethylheptane, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a respirator to prevent skin and respiratory exposure. Work should be conducted in a well-ventilated area or fume hood. Spills should be immediately contained and cleaned up with appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.