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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13O3.Na
Molecular Weight 216.2089
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTYLPARABEN SODIUM

SMILES

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

InChI

InChIKey=OGBHACNFHJJTQT-UHFFFAOYSA-M
InChI=1S/C11H14O3.Na/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 Na
Molecular Weight 22.9898
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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:55:53 UTC 2023
Edited
by admin
on Fri Dec 15 15:55:53 UTC 2023
Record UNII
MAR76J77VS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYLPARABEN SODIUM
Common Name English
SODIUM BUTYL HYDROXYBENZOATE [MART.]
Common Name English
SODIUM BUTYL HYDROXYBENZOATE
MART.  
Systematic Name English
BENZOIC ACID, 4-HYDROXY-, BUTYL ESTER, SODIUM SALT (1:1)
Systematic Name English
BUTYL-4-HYDROXYBENZOATE SODIUM SALT
Common Name English
P-HYDROXYBENZOIC ACID BUTYL ESTER SODIUM SALT
Common Name English
BUTYL PARAHYDROXYBENZOATE SODIUM
Systematic Name English
SODIUM BUTYLPARABEN
INCI  
INCI  
Official Name English
SODIUM BUTYLPARABEN [INCI]
Common Name English
BUTYL 4-HYDROXYBENZOATE SODIUM SALT
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C92608
Created by admin on Fri Dec 15 15:55:53 UTC 2023 , Edited by admin on Fri Dec 15 15:55:53 UTC 2023
Code System Code Type Description
RXCUI
1306936
Created by admin on Fri Dec 15 15:55:53 UTC 2023 , Edited by admin on Fri Dec 15 15:55:53 UTC 2023
PRIMARY RxNorm
EPA CompTox
DTXSID10189971
Created by admin on Fri Dec 15 15:55:53 UTC 2023 , Edited by admin on Fri Dec 15 15:55:53 UTC 2023
PRIMARY
PUBCHEM
23671890
Created by admin on Fri Dec 15 15:55:53 UTC 2023 , Edited by admin on Fri Dec 15 15:55:53 UTC 2023
PRIMARY
FDA UNII
MAR76J77VS
Created by admin on Fri Dec 15 15:55:53 UTC 2023 , Edited by admin on Fri Dec 15 15:55:53 UTC 2023
PRIMARY
SMS_ID
100000136385
Created by admin on Fri Dec 15 15:55:53 UTC 2023 , Edited by admin on Fri Dec 15 15:55:53 UTC 2023
PRIMARY
CAS
36457-20-2
Created by admin on Fri Dec 15 15:55:53 UTC 2023 , Edited by admin on Fri Dec 15 15:55:53 UTC 2023
PRIMARY
ECHA (EC/EINECS)
253-049-7
Created by admin on Fri Dec 15 15:55:53 UTC 2023 , Edited by admin on Fri Dec 15 15:55:53 UTC 2023
PRIMARY
NCI_THESAURUS
C83570
Created by admin on Fri Dec 15 15:55:53 UTC 2023 , Edited by admin on Fri Dec 15 15:55:53 UTC 2023
PRIMARY
EVMPD
SUB74744
Created by admin on Fri Dec 15 15:55:53 UTC 2023 , Edited by admin on Fri Dec 15 15:55:53 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE