Isophorone diisocyanate, mixture of isomers, 98%

Description

CAS: 4098-71-9 | C12H18N2O2 | 222.29 g/mol

Isophorone diisocyanate is useful for the preparation of polyurethane plastics. It is also used to make polyurethane coatings and in enamel coatings, which are resistant to abrasion and degradation from ultraviolet light. Further, it is used as coatings for automotive, flooring and roofing as well as paint applied to aircraft.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Isophorone diisocyanate is useful for the preparation of polyurethane plastics. It is also used to make polyurethane coatings and in enamel coatings, which are resistant to abrasion and degradation from ultraviolet light. Further, it is used as coatings for automotive, flooring and roofing as well as paint applied to aircraft.

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

Notes
Moisture sensitive. Incompatible with strong oxidizing agents, strong acids and alcohols.

Specifications

Chemical Identifiers

• CAS: 4098-71-9
• Molecular Formula: C12H18N2O2
• Molecular Weight (g/mol): 222.29
• MDL Number: MFCD00064956
• InChI Key: NIMLQBUJDJZYEJ-UHFFFAOYNA-N
• Synonym: isophorone diisocyanate, ipdi, isophorone diamine diisocyanate, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane, 3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate, cyclohexane, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethyl, 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, ccris 6252, isocyanic acid, methylene 3,5,5-trimethyl-3,1-cyclohexylene ester, isophorone diisocyanate diisocyanates
• PubChem CID: 169132
• ChEBI: CHEBI:53214
• IUPAC Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
• SMILES: CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O

• Melting Point: -60°C
• Density: 1.061
• Boiling Point: 153°C (10 mmHg)
• Flash Point: 163°C (325°F)
• Refractive Index: 1.484
• Quantity: 5 g
• UN Number: UN2290
• Beilstein: 2726467
• Sensitivity: Moisture sensitive
• Solubility Information: Miscible with esters,ketones,ethers,and aromatic and aliphatic hydrocarbons.
• Formula Weight: 222.29
• Percent Purity: 98%
• Chemical Name or Material: Isophorone diisocyanate, mixture of isomers

Safety and Handling

Hazard Category	H315-H317-H319-H330-H334-H335
Hazard Statement	GHS H Statement H330-H334-H315-H319-H317-H335-H204 Fatal if inhaled. May cause allergy or asthma symptoms or breathing difficulties if inhaled. Causes skin irritation. Causes serious eye irritation. May cause an allergic skin reaction. May cause respiratory irritation. Fire or projection hazard.
Precautionary Statement	P260-P264b-P271-P272-P280-P284-P285-P302+P352-P304+P340-P305+P351+P338-P310-P312-P333+P313-P362-P501c
DOTInformation	Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: ISOPHORONE DIISOCYANATE
EINECSNumber	223-861-6
RTECSNumber	NQ9370000
TSCA	Yes
Recommended Storage	Keep cold

SDS

RUO – Research Use Only