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Details

Stereochemistry RACEMIC
Molecular Formula C15H20O6
Molecular Weight 296.3157
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTYL (2,3-DIHYDROXYPROPYL) PHTHALATE

SMILES

CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(O)CO

InChI

InChIKey=HCPOXTUKPXKLHG-UHFFFAOYSA-N
InChI=1S/C15H20O6/c1-2-3-8-20-14(18)12-6-4-5-7-13(12)15(19)21-10-11(17)9-16/h4-7,11,16-17H,2-3,8-10H2,1H3

HIDE SMILES / InChI

Molecular Formula C15H20O6
Molecular Weight 296.3157
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 08:09:57 GMT 2023
Edited
by admin
on Sat Dec 16 08:09:57 GMT 2023
Record UNII
1XX0W0OQIN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYL (2,3-DIHYDROXYPROPYL) PHTHALATE
Systematic Name English
1,2-BENZENEDICARBOXYLIC ACID, BUTYL 2,3-DIHYDROXYPROPYL ESTER
Common Name English
1,2-BENZENEDICARBOXYLIC ACID, 1-BUTYL 2-(2,3-DIHYDROXYPROPYL) ESTER
Common Name English
Code System Code Type Description
FDA UNII
1XX0W0OQIN
Created by admin on Sat Dec 16 08:09:57 GMT 2023 , Edited by admin on Sat Dec 16 08:09:57 GMT 2023
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PUBCHEM
121488140
Created by admin on Sat Dec 16 08:09:57 GMT 2023 , Edited by admin on Sat Dec 16 08:09:57 GMT 2023
PRIMARY
CAS
54590-50-0
Created by admin on Sat Dec 16 08:09:57 GMT 2023 , Edited by admin on Sat Dec 16 08:09:57 GMT 2023
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EPA CompTox
DTXSID301334253
Created by admin on Sat Dec 16 08:09:57 GMT 2023 , Edited by admin on Sat Dec 16 08:09:57 GMT 2023
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