U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C20H36O4
Molecular Weight 340.4974
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DIETHYLHEXYL FUMARATE

SMILES

CCCCC(CC)COC(=O)\C=C\C(=O)OCC(CC)CCCC

InChI

InChIKey=ROPXFXOUUANXRR-BUHFOSPRSA-N
InChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13+

HIDE SMILES / InChI

Molecular Formula C20H36O4
Molecular Weight 340.4974
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:36:02 GMT 2023
Edited
by admin
on Sat Dec 16 01:36:02 GMT 2023
Record UNII
19Q90W09ES
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIETHYLHEXYL FUMARATE
INCI  
INCI  
Official Name English
Dioctyl fumarate (Di-2-ethylhexyl fumarate)
Common Name English
BERNEL ESTER 284
Brand Name English
2-ETHYLHEXYL FUMARATE
Systematic Name English
DI(2-ETHYLHEXYL) FUMARATE
Systematic Name English
2-BUTENEDIOIC ACID (E)-, BIS(2-ETHYLHEXYL) ESTER
Common Name English
(±)-DI(2-ETHYLHEXYL) FUMARATE
Systematic Name English
2-BUTENEDIOIC ACID (2E)-, 1,4-BIS(2-ETHYLHEXYL) ESTER
Common Name English
BIS(2-ETHYLHEXYL) FUMARATE
Systematic Name English
2-BUTENEDIOIC ACID (2E)-, BIS(2-ETHYLHEXYL) ESTER
Common Name English
DI(2-ETHYLHEXYL) FUMARATE, (±)-
Systematic Name English
DIETHYLHEXYL FUMARATE [INCI]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID2051710
Created by admin on Sat Dec 16 01:36:03 GMT 2023 , Edited by admin on Sat Dec 16 01:36:03 GMT 2023
PRIMARY
PUBCHEM
5370325
Created by admin on Sat Dec 16 01:36:03 GMT 2023 , Edited by admin on Sat Dec 16 01:36:03 GMT 2023
PRIMARY
CAS
141-02-6
Created by admin on Sat Dec 16 01:36:03 GMT 2023 , Edited by admin on Sat Dec 16 01:36:03 GMT 2023
PRIMARY
ECHA (EC/EINECS)
205-448-2
Created by admin on Sat Dec 16 01:36:03 GMT 2023 , Edited by admin on Sat Dec 16 01:36:03 GMT 2023
PRIMARY
FDA UNII
19Q90W09ES
Created by admin on Sat Dec 16 01:36:03 GMT 2023 , Edited by admin on Sat Dec 16 01:36:03 GMT 2023
PRIMARY