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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 ISOBUTYL PELARGONATE

SMILES

CCCCCCCCC(=O)OCC(C)C

InChI

InChIKey=NVVLMTNIHQHZPR-UHFFFAOYSA-N
InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-13(14)15-11-12(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 21:03:08 GMT 2025
Edited
by admin
on Mon Mar 31 21:03:08 GMT 2025
Record UNII
8J1S30GF9R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOBUTYL PELARGONATE
INCI  
INCI  
Official Name English
AEC ISOBUTYL PELARGONATE
Preferred Name English
ISOBUTYL NONANOATE
Systematic Name English
NONANOIC ACID, 2-METHYPROPYL ESTER
Common Name English
NONANOIC ACID, ISOBUTYL ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID2067583
Created by admin on Mon Mar 31 21:03:08 GMT 2025 , Edited by admin on Mon Mar 31 21:03:08 GMT 2025
PRIMARY
PUBCHEM
169223
Created by admin on Mon Mar 31 21:03:08 GMT 2025 , Edited by admin on Mon Mar 31 21:03:08 GMT 2025
PRIMARY
FDA UNII
8J1S30GF9R
Created by admin on Mon Mar 31 21:03:08 GMT 2025 , Edited by admin on Mon Mar 31 21:03:08 GMT 2025
PRIMARY
ECHA (EC/EINECS)
250-411-6
Created by admin on Mon Mar 31 21:03:08 GMT 2025 , Edited by admin on Mon Mar 31 21:03:08 GMT 2025
PRIMARY
CAS
30982-03-7
Created by admin on Mon Mar 31 21:03:08 GMT 2025 , Edited by admin on Mon Mar 31 21:03:08 GMT 2025
PRIMARY