8.18586

Isophorone diisocyanate

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

• Synonyme(s) : Isophorone diisocyanate, 5-Isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane, 3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate
• Formule empirique (notation de Hill) : C₁₂H₁₈N₂O₂
• Numéro CAS: 4098-71-9
• Poids moléculaire : 222.28
• UNSPSC Code: 12352118
• EC Index Number: 223-861-6
• NACRES: NA.22
• MDL number: MFCD00064956

Propriétés

• vapor pressure: 0.0004 hPa ( 20 °C)
• Quality Segment: 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
• SMILES string: N(=C=O)C1CC(CC(C1)(C)C)(CN=C=O)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

Informations sur la sécurité

• Pictogrammes: GHS06,GHS08,GHS09
• Mot-clé: Danger
• Mentions de précaution: 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
• Organes cibles: Respiratory system
• Que se passe-t-il ?: WGK 2
• Point d'éclair (°F): 325.4 °F - closed cup
• Point d'éclair (°C): 163 °C - closed cup
• Codes de danger: H315,H317,H319,H330,H334,H335,H411
• Classe de stockage: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials