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Details

Stereochemistry ACHIRAL
Molecular Formula C38H76O2
Molecular Weight 565.0088
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOCETYL BEHENATE

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C

InChI

InChIKey=QSPIWLSLJAVCNC-UHFFFAOYSA-N
InChI=1S/C38H76O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-29-32-35-38(39)40-36-33-30-27-24-21-18-19-22-25-28-31-34-37(2)3/h37H,4-36H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C38H76O2
Molecular Weight 565.0088
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 20:52:07 GMT 2025
Edited
by admin
on Mon Mar 31 20:52:07 GMT 2025
Record UNII
JGD5498E0G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PELEMOL ICB
Preferred Name English
ISOCETYL BEHENATE
INCI  
INCI  
Official Name English
BEHENIC ACID, ISOCETYL ESTER
Common Name English
BEHENIC ACID, ISOHEXADECYL ESTER
Common Name English
DOCOSANOIC ACID, ISOHEXADECYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
JGD5498E0G
Created by admin on Mon Mar 31 20:52:07 GMT 2025 , Edited by admin on Mon Mar 31 20:52:07 GMT 2025
PRIMARY
PUBCHEM
44148920
Created by admin on Mon Mar 31 20:52:07 GMT 2025 , Edited by admin on Mon Mar 31 20:52:07 GMT 2025
PRIMARY
ECHA (EC/EINECS)
304-205-9
Created by admin on Mon Mar 31 20:52:07 GMT 2025 , Edited by admin on Mon Mar 31 20:52:07 GMT 2025
PRIMARY
CAS
94247-28-6
Created by admin on Mon Mar 31 20:52:07 GMT 2025 , Edited by admin on Mon Mar 31 20:52:07 GMT 2025
PRIMARY
DAILYMED
JGD5498E0G
Created by admin on Mon Mar 31 20:52:07 GMT 2025 , Edited by admin on Mon Mar 31 20:52:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID40241258
Created by admin on Mon Mar 31 20:52:07 GMT 2025 , Edited by admin on Mon Mar 31 20:52:07 GMT 2025
PRIMARY