ALUMINUM, HYDROXYBIS[2,4,8,10-TETRAKIS(1,1-DIMETHYLETHYL)-6-HYDROXY-12H-DIBENZO[D,G][1,3,2] DIOXAPHOSPHOCIN 6-OXIDATA]-

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Keyword(s): Food Contact Chemicals ; Plastic additives
Molecule Category Free-form
EPA CompTox DTXSID60893238

Structure

InChI Key IQJARXJKVIARHO-UHFFFAOYSA-K
Smiles CC(C)(C)C1=CC2=C(OP(=O)(O[Al](O)OP3(=O)OC4=C(C=C(C=C4CC4=C(O3)C(=CC(=C4)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=C3C2)C(C)(C)C)C(C)(C)C)C(=C1)C(C)(C)C
InChI
InChI=1S/2C29H43O4P.Al.H2O/c2*1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9;;/h2*14-17H,13H2,1-12H3,(H,30,31);;1H2/q;;+3;/p-3

Physicochemical Descriptors

Property Name Value
Molecular Formula C58H85AlO9P2
Molecular Weight 1014.55
AlogP 14.86
Hydrogen Bond Acceptor 9.0
Polar Surface Area 147.18
Heavy Atoms 70.0

Cross References

Resources Reference
CAS NUMBER 151841-65-5
NORMAN SUSDAT
CONTENTS