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Details

Stereochemistry ACHIRAL
Molecular Formula C21H32O4
Molecular Weight 348.4764
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYL OCTYL ADIPATE

SMILES

CCCCCCCCOC(=O)CCCCC(=O)OCC1=CC=CC=C1

InChI

InChIKey=DECACTMEFWAFRE-UHFFFAOYSA-N
InChI=1S/C21H32O4/c1-2-3-4-5-6-12-17-24-20(22)15-10-11-16-21(23)25-18-19-13-8-7-9-14-19/h7-9,13-14H,2-6,10-12,15-18H2,1H3

HIDE SMILES / InChI

Molecular Formula C21H32O4
Molecular Weight 348.4764
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:25:18 GMT 2025
Edited
by admin
on Mon Mar 31 19:25:18 GMT 2025
Record UNII
MR5CLK3Y44
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYL OCTYL ADIPATE
Systematic Name English
ADIMOLL BO
Preferred Name English
HEXANEDIOIC ACID, 1-OCTYL 6-(PHENYLMETHYL) ESTER
Common Name English
ADIPIC ACID, BENZYL OCTYL ESTER
Common Name English
HEXANEDIOIC ACID, OCTYL PHENYLMETHYL ESTER
Common Name English
Code System Code Type Description
CAS
3089-55-2
Created by admin on Mon Mar 31 19:25:18 GMT 2025 , Edited by admin on Mon Mar 31 19:25:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID20184896
Created by admin on Mon Mar 31 19:25:18 GMT 2025 , Edited by admin on Mon Mar 31 19:25:18 GMT 2025
PRIMARY
ECHA (EC/EINECS)
221-431-2
Created by admin on Mon Mar 31 19:25:18 GMT 2025 , Edited by admin on Mon Mar 31 19:25:18 GMT 2025
PRIMARY
FDA UNII
MR5CLK3Y44
Created by admin on Mon Mar 31 19:25:18 GMT 2025 , Edited by admin on Mon Mar 31 19:25:18 GMT 2025
PRIMARY
PUBCHEM
76534
Created by admin on Mon Mar 31 19:25:18 GMT 2025 , Edited by admin on Mon Mar 31 19:25:18 GMT 2025
PRIMARY