TITANIUM, [BIS(2-ETHYLHEXYL) PHOSPHATO-O''][MONO(2-ETHYLHEXYL)PHOSPHATO(2-)-O',O''](2-PROPANOLATO)-, (T-4)-

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form

Structure

InChI Key NSQBLQQPXMHHPK-UHFFFAOYSA-N
Smiles CCCCC(CC)COP(=O)(O)O.CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.CC(C)O.[Ti]
InChI
InChI=1S/C16H35O4P.C8H19O4P.C3H8O.Ti/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;1-3-5-6-8(4-2)7-12-13(9,10)11;1-3(2)4;/h15-16H,5-14H2,1-4H3,(H,17,18);8H,3-7H2,1-2H3,(H2,9,10,11);3-4H,1-2H3;

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H62O9P2Ti
Molecular Weight 640.33
AlogP 8.25
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 21.0
Polar Surface Area 142.75
Heavy Atoms 39.0

Cross References

Resources Reference
CAS NUMBER 84145-32-4
NORMAN SUSDAT
PubChem 91844647
CONTENTS