CALCIUM OLEATE

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Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
UNII 4K5QQP44TZ
EPA CompTox DTXSID3059713

Structure

InChI Key ZCZLQYAECBEUBH-CVBJKYQLSA-L
Smiles [Ca+2].CCCCCCCCC=C/CCCCCCCC(=O)[O-].CCCCCCCCC=C/CCCCCCCC(=O)[O-]
InChI
InChI=1S/2C18H34O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H66CaO4
Molecular Weight 602.46
AlogP 9.17
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 30.0
Polar Surface Area 80.26
Heavy Atoms 41.0

Cross References

Resources Reference
CAS NUMBER 142-17-6
NORMAN SUSDAT
FDA SRS 4K5QQP44TZ
PubChem 12806384
ChemSpider 20141701.0
CONTENTS