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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13O3.K
Molecular Weight 232.3174
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POTASSIUM BUTYLPARABEN

SMILES

[K+].CCCCOC(=O)C1=CC=C([O-])C=C1

InChI

InChIKey=DPMDQHINTKFMKS-UHFFFAOYSA-M
InChI=1S/C11H14O3.K/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9;/h4-7,12H,2-3,8H2,1H3;/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H13O3
Molecular Weight 193.2191
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:53:26 GMT 2023
Edited
by admin
on Sat Dec 16 01:53:26 GMT 2023
Record UNII
PGG48E5PSX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
POTASSIUM BUTYLPARABEN
INCI  
INCI  
Official Name English
BENZOIC ACID, 4-HYDROXY-, BUTYL ESTER, POTASSIUM SALT
Common Name English
BENZOIC ACID, 4-HYDROXY-, BUTYL ESTER, POTASSIUM SALT (1:1)
Common Name English
POTASSIUM BUTYLPARABEN [INCI]
Common Name English
P-HYDROXYBENZOATE POTASSIUM SALT
Common Name English
BUTYLPARABEN, POTASSIUM SALT
Common Name English
Code System Code Type Description
FDA UNII
PGG48E5PSX
Created by admin on Sat Dec 16 01:53:26 GMT 2023 , Edited by admin on Sat Dec 16 01:53:26 GMT 2023
PRIMARY
PUBCHEM
23663689
Created by admin on Sat Dec 16 01:53:26 GMT 2023 , Edited by admin on Sat Dec 16 01:53:26 GMT 2023
PRIMARY
CAS
38566-94-8
Created by admin on Sat Dec 16 01:53:26 GMT 2023 , Edited by admin on Sat Dec 16 01:53:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID90191890
Created by admin on Sat Dec 16 01:53:26 GMT 2023 , Edited by admin on Sat Dec 16 01:53:26 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE