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

Details

Stereochemistry ACHIRAL
Molecular Formula C4H9O4S.Na
Molecular Weight 176.167
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Butyl sodium sulphate

SMILES

[Na+].CCCCOS([O-])(=O)=O

InChI

InChIKey=NGDIAZZSCVVCEW-UHFFFAOYSA-M
InChI=1S/C4H10O4S.Na/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H,5,6,7);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H9O4S
Molecular Weight 153.177
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 Wed Apr 02 18:40:23 GMT 2025
Edited
by admin
on Wed Apr 02 18:40:23 GMT 2025
Record UNII
BYG89M88BJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sulfuric acid, monobutyl ester, sodium salt
Preferred Name English
Butyl sodium sulphate
Common Name English
Sulfuric acid, monobutyl ester, sodium salt (1:1)
Common Name English
Sodium butyl sulfate
Common Name English
Code System Code Type Description
FDA UNII
BYG89M88BJ
Created by admin on Wed Apr 02 18:40:23 GMT 2025 , Edited by admin on Wed Apr 02 18:40:23 GMT 2025
PRIMARY
ECHA (EC/EINECS)
213-672-7
Created by admin on Wed Apr 02 18:40:23 GMT 2025 , Edited by admin on Wed Apr 02 18:40:23 GMT 2025
PRIMARY
CAS
1000-67-5
Created by admin on Wed Apr 02 18:40:23 GMT 2025 , Edited by admin on Wed Apr 02 18:40:23 GMT 2025
PRIMARY
PUBCHEM
23677966
Created by admin on Wed Apr 02 18:40:23 GMT 2025 , Edited by admin on Wed Apr 02 18:40:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID5061378
Created by admin on Wed Apr 02 18:40:23 GMT 2025 , Edited by admin on Wed Apr 02 18:40:23 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE