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Details

Stereochemistry RACEMIC
Molecular Formula C16H20O5
Molecular Weight 292.327
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHYL-5-OXOHEXYL PHTHALATE

SMILES

CCC(CCC(C)=O)COC(=O)C1=CC=CC=C1C(O)=O

InChI

InChIKey=HCWNFKHKKHNSSL-UHFFFAOYSA-N
InChI=1S/C16H20O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,12H,3,8-10H2,1-2H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C16H20O5
Molecular Weight 292.327
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 09:22:10 GMT 2023
Edited
by admin
on Sat Dec 16 09:22:10 GMT 2023
Record UNII
7J8J8977X9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ETHYL-5-OXOHEXYL PHTHALATE
Systematic Name English
1,2-BENZENEDICARBOXYLIC ACID, 1-(2-ETHYL-5-OXOHEXYL) ESTER
Systematic Name English
MONO(2-ETHYL-5-OXOHEXYL)PHTHALATE
Systematic Name English
Code System Code Type Description
CAS
40321-98-0
Created by admin on Sat Dec 16 09:22:10 GMT 2023 , Edited by admin on Sat Dec 16 09:22:10 GMT 2023
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EPA CompTox
DTXSID00865994
Created by admin on Sat Dec 16 09:22:10 GMT 2023 , Edited by admin on Sat Dec 16 09:22:10 GMT 2023
PRIMARY
PUBCHEM
119096
Created by admin on Sat Dec 16 09:22:10 GMT 2023 , Edited by admin on Sat Dec 16 09:22:10 GMT 2023
PRIMARY
FDA UNII
7J8J8977X9
Created by admin on Sat Dec 16 09:22:10 GMT 2023 , Edited by admin on Sat Dec 16 09:22:10 GMT 2023
PRIMARY