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Details

Stereochemistry RACEMIC
Molecular Formula C21H32O4
Molecular Weight 348.4764
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYLOCTYL ADIPATE

SMILES

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

InChI

InChIKey=OOUQSWGHJPCRLI-UHFFFAOYSA-N
InChI=1S/C21H32O4/c1-3-5-11-18(4-2)16-24-20(22)14-9-10-15-21(23)25-17-19-12-7-6-8-13-19/h6-8,12-13,18H,3-5,9-11,14-17H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C21H32O4
Molecular Weight 348.4764
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:12:01 GMT 2023
Edited
by admin
on Sat Dec 16 08:12:01 GMT 2023
Record UNII
A36J18786W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYLOCTYL ADIPATE
Systematic Name English
HEXANEDIOIC ACID, 2-ETHYLHEXYL PHENYLMETHYL ESTER
Systematic Name English
BENZYL 2-ETHYLHEXYL ADIPATE
Systematic Name English
HEXANEDIOIC ACID, 1-(2-ETHYLHEXYL) 6-(PHENYLMETHYL) ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
94037
Created by admin on Sat Dec 16 08:12:01 GMT 2023 , Edited by admin on Sat Dec 16 08:12:01 GMT 2023
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FDA UNII
A36J18786W
Created by admin on Sat Dec 16 08:12:01 GMT 2023 , Edited by admin on Sat Dec 16 08:12:01 GMT 2023
PRIMARY
CAS
58394-64-2
Created by admin on Sat Dec 16 08:12:01 GMT 2023 , Edited by admin on Sat Dec 16 08:12:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID1047528
Created by admin on Sat Dec 16 08:12:01 GMT 2023 , Edited by admin on Sat Dec 16 08:12:01 GMT 2023
PRIMARY
ECHA (EC/EINECS)
261-234-9
Created by admin on Sat Dec 16 08:12:01 GMT 2023 , Edited by admin on Sat Dec 16 08:12:01 GMT 2023
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