ISONONANOIC ACID, BUTYL ESTER

/static/temp/default.svg Search structure
Keyword(s): Food Contact Chemicals ; Plastic additives
Molecule Category Free-form
UNII 5W105Z02OW
EPA CompTox DTXSID30242835

Structure

InChI Key KDRCJAKUDFVQLB-UHFFFAOYSA-N
Smiles CCCCOC(=O)CCCCCC(C)C
InChI
InChI=1S/C13H26O2/c1-4-5-11-15-13(14)10-8-6-7-9-12(2)3/h12H,4-11H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H26O2
Molecular Weight 214.19
AlogP 3.94
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 26.3
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 97259-92-2
NORMAN SUSDAT
FDA SRS 5W105Z02OW
CONTENTS