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Product Overview

Product Code

TRC-I821978

CAS Number

4098-71-9

Product Format

Neat

Molecular Formula

C12 H18 N2 O2

Molecular Weight

222.28

Product Categories

TRC, Food contact materials

Product Type

Contaminant

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Product Information

Chemical Data

Analyte Name

Isophorone Diisocyanate

CAS Number

4098-71-9

Molecular Formula

C12 H18 N2 O2

Molecular Weight

222.28

Accurate Mass

222.1368

SMILES

CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O

InChI

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

IUPAC

5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Transport Restrictions

Air Excepted Air Dangerous

Product Format

Neat

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