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Details

Stereochemistry ACHIRAL
Molecular Formula C11H22O2
Molecular Weight 186.2912
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROPYL OCTANOATE

SMILES

CCCCCCCC(=O)OCCC

InChI

InChIKey=IDHBLVYDNJDWNO-UHFFFAOYSA-N
InChI=1S/C11H22O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H22O2
Molecular Weight 186.2912
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 21:58:01 GMT 2025
Edited
by admin
on Mon Mar 31 21:58:01 GMT 2025
Record UNII
VU5LA9XGW7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPYL OCTANOATE
Systematic Name English
NSC-23736
Preferred Name English
PROPYL CAPRYLATE
Common Name English
OCTANOIC ACID, PROPYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
69351
Created by admin on Mon Mar 31 21:58:01 GMT 2025 , Edited by admin on Mon Mar 31 21:58:01 GMT 2025
PRIMARY
CHEBI
87374
Created by admin on Mon Mar 31 21:58:01 GMT 2025 , Edited by admin on Mon Mar 31 21:58:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID9060782
Created by admin on Mon Mar 31 21:58:01 GMT 2025 , Edited by admin on Mon Mar 31 21:58:01 GMT 2025
PRIMARY
NSC
23736
Created by admin on Mon Mar 31 21:58:01 GMT 2025 , Edited by admin on Mon Mar 31 21:58:01 GMT 2025
PRIMARY
ECHA (EC/EINECS)
210-830-7
Created by admin on Mon Mar 31 21:58:01 GMT 2025 , Edited by admin on Mon Mar 31 21:58:01 GMT 2025
PRIMARY
FDA UNII
VU5LA9XGW7
Created by admin on Mon Mar 31 21:58:01 GMT 2025 , Edited by admin on Mon Mar 31 21:58:01 GMT 2025
PRIMARY
CAS
624-13-5
Created by admin on Mon Mar 31 21:58:01 GMT 2025 , Edited by admin on Mon Mar 31 21:58:01 GMT 2025
PRIMARY