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Details

Stereochemistry ACHIRAL
Molecular Formula C13H26O2
Molecular Weight 214.3443
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTYL ISONONANOATE

SMILES

CCCCOC(=O)CCCCCC(C)C

InChI

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

HIDE SMILES / InChI

Molecular Formula C13H26O2
Molecular Weight 214.3443
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:15:16 GMT 2025
Edited
by admin
on Mon Mar 31 22:15:16 GMT 2025
Record UNII
5W105Z02OW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISONONANOIC ACID, BUTYL ESTER
Preferred Name English
BUTYL ISONONANOATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
306-457-5
Created by admin on Mon Mar 31 22:15:16 GMT 2025 , Edited by admin on Mon Mar 31 22:15:16 GMT 2025
PRIMARY
PUBCHEM
44145804
Created by admin on Mon Mar 31 22:15:16 GMT 2025 , Edited by admin on Mon Mar 31 22:15:16 GMT 2025
PRIMARY
CAS
97259-92-2
Created by admin on Mon Mar 31 22:15:16 GMT 2025 , Edited by admin on Mon Mar 31 22:15:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID30242835
Created by admin on Mon Mar 31 22:15:16 GMT 2025 , Edited by admin on Mon Mar 31 22:15:16 GMT 2025
PRIMARY
FDA UNII
5W105Z02OW
Created by admin on Mon Mar 31 22:15:16 GMT 2025 , Edited by admin on Mon Mar 31 22:15:16 GMT 2025
PRIMARY