8.18586

Isophorone diisocyanate

(mixture of cis- and trans-isomers) for synthesis

• Synonym(s): Isophorone diisocyanate, 5-Isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane, 3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate
• Empirical Formula (Hill Notation): C₁₂H₁₈N₂O₂
• CAS Number: 4098-71-9
• Molecular Weight: 222.28
• MDL number: MFCD00064956
• UNSPSC Code: 12352118
• EC Index Number: 223-861-6
• NACRES: NA.22

Properties

• vapor pressure: 0.0004 hPa ( 20 °C)
• Quality Level: 200
• assay: ≥99.0% (GC)
• form: liquid
• autoignition temp.: 430 °C
• potency: 4825 mg/kg LD₅₀, oral (Rat); >7000 mg/kg LD₅₀, skin (Rat)
• expl. lim.: 0.7-4.5 % (v/v)
• bp: 158-159 °C/13 hPa
• mp: -60 °C
• transition temp: flash point 155 °C
• solubility: 0.015 g/L (slow decomposition)
• density: 1.06 g/cm³ at 20 °C
• storage temp.: 2-30°C
• 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
• InChI key: NIMLQBUJDJZYEJ-UHFFFAOYSA-N

Description

Application

• Thermoresponsive Random Poly(ether urethanes) with Tailorable LCSTs for Anticancer Drug Delivery.: This study explores the development of thermoresponsive random poly(ether urethanes) synthesized using Isophorone diisocyanate. These polymers exhibit adjustable lower critical solution temperatures (LCSTs), making them suitable for controlled anticancer drug delivery applications. The research highlights the potential of Isophorone diisocyanate in creating advanced materials for medical use, specifically in drug delivery systems (Sardon et al., 2015).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.060 - 1.062
Identity (IR): passes test

Safety Information

• pictograms: GHS06,GHS08,GHS09
• signalword: Danger
• hcodes: H315 - H317 - H319 - H330 - H334 - H335 - H411
• pcodes: P260 - P273 - P280 - P302 + P352 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 1 Inhalation - Aquatic Chronic 2 - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk_germany: WGK 2
• flash_point_f: 325.4 °F - closed cup
• flash_point_c: 163 °C - closed cup