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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

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About This Item

Empirical Formula (Hill Notation):
C12H18N2O2
CAS Number:
4098-71-9
Molecular Weight:
222.28
UNSPSC Code:
12352118
EC Index Number:
223-861-6
NACRES:
NA.22
MDL number:
MFCD00064956
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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

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

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

signalword

Danger

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

wgk

WGK 2

flash_point_f

325.4 °F - closed cup

flash_point_c

163 °C - closed cup

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

Regulatory Information

危险化学品

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Global Trade Item Number

SKUGTIN
818586250004022536879536
818586025004022536439945
818586100004022536439952
818586902504022536921778