SODIUM OCTANOATE

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Keyword(s): Plastic additives ; Food Contact Chemicals
Molecule Category Salt-form

Structure

InChI Key BYKRNSHANADUFY-UHFFFAOYSA-M
Smiles [Na+].CCCCCCCC(=O)[O-]
InChI
InChI=1/C8H16O2.Na/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15NaO2
Molecular Weight 166.1
AlogP -1.9
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 40.13
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 30834
NORMAN SUSDAT
CONTENTS