Isophorone diisocyanate, 98%, Thermo Scientific Chemicals

Product Code	Brand	Quantity	Packaging
10555290	Thermo Scientific Acros 427600500	50 mL	Glass bottle
10844161	Thermo Scientific Acros 427602500	250 mL	Glass bottle
10646640	Thermo Scientific Acros 427600010	1 L	Glass bottle

Description

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

Chemical Identifiers

• CAS: 4098-71-9
• Molecular Weight (g/mol): 222.29
• InChI Key: NIMLQBUJDJZYEJ-UHFFFAOYNA-N
• PubChem CID: 169132
• IUPAC Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane

• Molecular Formula: C12H18N2O2
• MDL Number: MFCD00064956
• 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
• ChEBI: CHEBI:53214
• SMILES: CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O

Specifications

• CAS: 4098-71-9
• Density: 1.0610g/mL
• Flash Point: 163°C
• Assay Percent Range: 97.5% min. (sum of mixed isomers) (GC)
• Refractive Index: 1.4830 to 1.4850 (20°C, 589nm)
• Specific Gravity: 1.061
• InChI Key: NIMLQBUJDJZYEJ-UHFFFAOYNA-N
• IUPAC Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
• PubChem CID: 169132
• Viscosity: 13-15 mPa.s (23°C)
• Percent Purity: 98%
• Chemical Name or Material: Isophorone diisocyanate

• Color: Colorless to Yellow
• Boiling Point: 153.0°C (10.0 mmHg)
• Infrared Spectrum: Authentic
• Molecular Formula: C12H18N2O2
• MDL Number: MFCD00064956
• 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
• SMILES: CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O
• Molecular Weight (g/mol): 222.29
• ChEBI: CHEBI:53214
• Formula Weight: 222.28
• Physical Form: Liquid

Safety and Handling

GHS H Statement
Causes skin irritation.
May cause an allergic skin reaction.
May cause respiratory irritation.
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Toxic to aquatic life with long lasti

GHS P Statement
IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing.
IF ON SKIN: Wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
If skin irritation or

GHS Signal Word: Danger

missing translation for 'einecsNumber' : 223-861-6

Product Identifier

• Isophorone diisocyanate

Signal Word

• Danger

Hazard Category

• Acute toxicity Category 3
• LONG-TERM AQUATIC HAZARD Chronic 2
• Serious eye damage/eye irritation Category 2
• Respiratory sensitiser Category 1
• Skin corrosion/irritation Category 2
• Skin sensitiser Category 1
• Specific target organ toxicity Category 3

Hazard Statement

• H317-May cause an allergic skin reaction.
• H334-May cause allergy or asthma symptoms or breathing difficulties if inhaled.
• H315-Causes skin irritation.
• H319-Causes serious eye irritation.
• H411-Toxic to aquatic life with long lasting effects.
• H335-May cause respiratory irritation.
• H331-Toxic if inhaled.

Precautionary Statement

• P261-Avoid breathing dust/fume/gas/mist/vapours/spray.
• P273-Avoid release to the environment.
• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P302+P352-IF ON SKIN: Wash with plenty of water/.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

RUO – Research Use Only