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Details

Stereochemistry RACEMIC
Molecular Formula C18H36O2
Molecular Weight 284.4772
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROPYLHEPTYL CAPRYLATE

SMILES

CCCCCCCC(=O)OCC(CCC)CCCCC

InChI

InChIKey=WHBKVWBGTBULQY-UHFFFAOYSA-N
InChI=1S/C18H36O2/c1-4-7-9-10-12-15-18(19)20-16-17(13-6-3)14-11-8-5-2/h17H,4-16H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C18H36O2
Molecular Weight 284.4772
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:51:44 UTC 2023
Edited
by admin
on Fri Dec 15 17:51:44 UTC 2023
Record UNII
991Z19V2OD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPYLHEPTYL CAPRYLATE
INCI  
INCI  
Official Name English
PROPYLHEPTYL CAPRYLATE [INCI]
Common Name English
OCTANOIC ACID, 4-METHYL-2-PENTYLBUTYL ESTER
Common Name English
CETIOL SENSOFT
Brand Name English
2-PROPYLHEPTYL CAPRYLATE
Systematic Name English
Code System Code Type Description
SMS_ID
300000000261
Created by admin on Fri Dec 15 17:51:44 UTC 2023 , Edited by admin on Fri Dec 15 17:51:44 UTC 2023
PRIMARY
FDA UNII
991Z19V2OD
Created by admin on Fri Dec 15 17:51:44 UTC 2023 , Edited by admin on Fri Dec 15 17:51:44 UTC 2023
PRIMARY
EPA CompTox
DTXSID50100716
Created by admin on Fri Dec 15 17:51:44 UTC 2023 , Edited by admin on Fri Dec 15 17:51:44 UTC 2023
PRIMARY
CAS
868839-23-0
Created by admin on Fri Dec 15 17:51:44 UTC 2023 , Edited by admin on Fri Dec 15 17:51:44 UTC 2023
PRIMARY
RXCUI
1427011
Created by admin on Fri Dec 15 17:51:44 UTC 2023 , Edited by admin on Fri Dec 15 17:51:44 UTC 2023
PRIMARY RxNorm
DAILYMED
991Z19V2OD
Created by admin on Fri Dec 15 17:51:44 UTC 2023 , Edited by admin on Fri Dec 15 17:51:44 UTC 2023
PRIMARY
PUBCHEM
11855339
Created by admin on Fri Dec 15 17:51:44 UTC 2023 , Edited by admin on Fri Dec 15 17:51:44 UTC 2023
PRIMARY