ZINC BIS(2-ETHYLHEXANOATE)

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Keyword(s): Food Contact Chemicals ; Plastic additives ; Drinking Water Chemicals
Molecule Category Salt-form
UNII 3J848924K5
EPA CompTox DTXSID5027065

Structure

InChI Key IFNXAMCERSVZCV-UHFFFAOYSA-L
Smiles [Zn+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-]
InChI
InChI=1/2C8H16O2.Zn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H30O4Zn
Molecular Weight 350.14
AlogP 1.9
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 80.26
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 136-53-8
NORMAN SUSDAT
FDA SRS 3J848924K5
CONTENTS