5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane | CAS No. 4098-71-9

Q: Are there alternatives to 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS: 4098-71-9) in synthesis?

Alternatives to 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS: 4098-71-9) in synthesis include various isocyanates and their derivatives, such as toluene diisocyanate (TDI) and hexamethylene diisocyanate (HDI). These can be used as substitutes depending on the specific application requirements. Always consider the reactivity, toxicity, and environmental impact of the alternatives.

Q: What is the market or research trend for 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS: 4098-71-9)?

The market for 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS: 4098-71-9) is driven by its use in polymer synthesis and coatings. Research trends are focusing on developing more sustainable and eco-friendly alternatives. Studies are also exploring its potential in advanced materials and biocompatible applications. Market demand is expected to grow with increasing demand for high-performance polymers and biodegradable materials.

Q: How should waste containing 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS: 4098-71-9) be handled?

Waste containing 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS: 4098-71-9) should be collected in a sealed container and disposed of through professional waste disposal services. Incineration is a common method for waste disposal, but ensure it meets local environmental regulations. Always wear appropriate personal protective equipment (PPE) and follow safety guidelines to prevent exposure and environmental contamination. Proper disposal is crucial to avoid health and environmental risks.

5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane

Basic Information

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CAS Number

4098-71-9

Molecular Formula

C12H18N2O2

Molecular Weight

222.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

-60°C

Boiling Point

159°C/15mmHg

Water Solubility

<0.1 g/100 mL at 25 ºC

Solubility

Miscible with esters, ketones, ethers, and aromatic and aliphatic hydrocarbons.

Refractive Index

n20/D 1.484(lit.)

SMILES

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CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O

InChI

InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3

InChIKey

NIMLQBUJDJZYEJ-UHFFFAOYSA-N

LogP

2.2430000000000003

Topological Polar Surface Area

58.86 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

352

Safety Information

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GHS Hazard Pictograms

H315

H317

H319

H331

H334

H335

H411

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H331 Toxic if inhaled
Acute toxicity, inhalation

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1 Class 6.1

Stability

Reacts with all substances containing active hydrogen, such as acids, amines, water, phenols, mercaptans, amides, urea. Probably moisture sensitive.

Sensitiveness

Moisture Sensitive

Explosive Limit

0.7-4.5%(V)

Synonyms & References

English

isophorone diisocyanate, mixture of stereo isomers
3-ISOCYANATOMETHYL-3,5,5-TRIMETHYLCYCLOHEXYL ISOCYANATE
5-ISOCYANATO-1-ISOCYANATOMETHYL-1,3,3-TIMETHYLCYCLOHEXANE
5-ISOCYANATO-1-(ISOCYANATOMETHYL)-1,3,3-TRIMETHYLCYCLOHEXANE
ipdi
ISOPHORONE DIISOCYANATE
5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexan
diisocyanated’isophorone
isocyanicacid,methylene(3,5,5-trimethyl-3,1-cyclohexylene)ester
isophoronediaminediisocyanate
Isophorone diisocyanate (mixture of isomers)
IsophoroneDiisocyanat
Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-
ISOPHORENEDIISOCYANATE
ISOPHORONDIISOCYANATE
Isophorondiisocyanat
3-Isocyanatmethyl-3,5,5-trimethylcyclohexylisocyanat
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate isophorone di-isocyanate
1,1,5,5-Tetramethylcyclohexane-a-1,3-diisocyanate
3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl Isocyanate (mixture of isomers)
Isophorone Diisocyanate(mixture of isomers)
3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate
5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
IPDI

MDL Number

MFCD00064956

Customs Code

2929109000

FAQ

What regulatory guidelines apply to 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS: 4098-71-9)?

5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS: 4098-71-9) falls under the scope of the REACH regulation for chemical safety and must comply with GHS classification, which includes safety data sheet (SDS) preparation. Additionally, it is subject to FDA and EPA regulations for its use in the United States. Ensure to follow local and international regulations for handling, storage, and disposal to prevent environmental and health hazards.

Are there alternatives to 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS: 4098-71-9) in synthesis?

Alternatives to 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS: 4098-71-9) in synthesis include various isocyanates and their derivatives, such as toluene diisocyanate (TDI) and hexamethylene diisocyanate (HDI). These can be used as substitutes depending on the specific application requirements. Always consider the reactivity, toxicity, and environmental impact of the alternatives.

What is the market or research trend for 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS: 4098-71-9)?

The market for 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS: 4098-71-9) is driven by its use in polymer synthesis and coatings. Research trends are focusing on developing more sustainable and eco-friendly alternatives. Studies are also exploring its potential in advanced materials and biocompatible applications. Market demand is expected to grow with increasing demand for high-performance polymers and biodegradable materials.

How should waste containing 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS: 4098-71-9) be handled?

Waste containing 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS: 4098-71-9) should be collected in a sealed container and disposed of through professional waste disposal services. Incineration is a common method for waste disposal, but ensure it meets local environmental regulations. Always wear appropriate personal protective equipment (PPE) and follow safety guidelines to prevent exposure and environmental contamination. Proper disposal is crucial to avoid health and environmental risks.