Skip to Content
Merck
CN
All Photos(1)

Documents

Safety Information

8.18586

Sigma-Aldrich

Isophorone diisocyanate

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

Sign Into View Organizational & Contract Pricing

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:
Molecular Weight:
222.28
MDL number:
UNSPSC Code:
12352118
EC Index Number:
223-861-6
NACRES:
NA.22

vapor pressure

0.0004 hPa ( 20 °C)

Quality Level

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

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

Signal Word

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

Storage Class Code

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

WGK

WGK 2

Flash Point(F)

325.4 °F - closed cup

Flash Point(C)

163 °C - closed cup

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service