Product Name: Polyurethane Y-226
CAS Registry Number: 56386-98-2
Synonyms: Y 226 ; 2-Oxepanone, polymer with 2-methyl-1,4-benzenediamine and 1,1'-methylenebis(1,4-isocyanatocyclohexane)
IUPAC Name: 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane ; 2-methylbenzene-1,4-diamine; oxepan-2-one
Molecular Weight: 498.65748 [g/mol]
Molecular Formula: C28H42N4O4
H-Bond Donor: 2
H-Bond Acceptor: 8
Flash Point: 149.8 °C
Enthalpy of Vaporization: 60.95 kJ/mol
Boiling Point: 363.4 °C at 760 mmHg
Vapour Pressure: 1.8E-05 mmHg at 25°C
Following is the molecular structure of Polyurethane Y-226 (CAS NO.56386-98-2) is:
1. | imp-rat TDLo:6750 mg/kg:ETA | CNREA8 Cancer Research. 35 (1975),1591. |
IARC Cancer Review: Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 19 ,1979,p. 303.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .
Confirmed carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of CN− and NOx.
Descriptors computed from structure, you can know some information about Polyurethane Y-226 (CAS NO.56386-98-2) :
Canonical SMILES: CC1=C(C=CC(=C1)N)N.C1CCC(=O)OCC1.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O
InChI: InChI=1S/C15H22N2O2.C7H10N2.C6H10O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;1-5-4-6(8)2-3-7(5)9;7-6-4-2-1-3-5-8-6/h12-15H,1-9H2;2-4H,8-9H2,1H3;1-5H2
InChIKey: QNFGVTNUSXDWEW-UHFFFAOYSA-N
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