Sodium hexyl sulfate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H13O4S.Na
Molecular Weight	204.22
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Sodium hexyl sulfate

Structure Search

SMILES

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

InChI

InChIKey=WSVLUYNDHYCZGD-UHFFFAOYSA-M

InChI=1S/C6H14O4S.Na/c1-2-3-4-5-6-10-11(7,8)9;/h2-6H2,1H3,(H,7,8,9);/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	C6H13O4S
Molecular Weight	181.23
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 `Tue Apr 01 18:56:02 GMT 2025` Edited by `admin` on `Tue Apr 01 18:56:02 GMT 2025`
Record UNII	DH4M2TQS74
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sodium hexyl sulfate

Systematic Name

English

Sulfuric acid, monohexyl ester, sodium salt

Preferred Name

English

Sulfuric acid, monohexyl ester, sodium salt (1:1)

Systematic Name

English

Sodium n-hexyl sulfate

Systematic Name

English

Code System Code Type Description

PUBCHEM

23678858

Created by admin on Tue Apr 01 18:56:02 GMT 2025 , Edited by admin on Tue Apr 01 18:56:02 GMT 2025

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FDA UNII

DH4M2TQS74

Created by admin on Tue Apr 01 18:56:02 GMT 2025 , Edited by admin on Tue Apr 01 18:56:02 GMT 2025

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EPA CompTox

DTXSID6062250

Created by admin on Tue Apr 01 18:56:02 GMT 2025 , Edited by admin on Tue Apr 01 18:56:02 GMT 2025

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CAS

2207-98-9

Created by admin on Tue Apr 01 18:56:02 GMT 2025 , Edited by admin on Tue Apr 01 18:56:02 GMT 2025

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ECHA (EC/EINECS)

218-628-0

Created by admin on Tue Apr 01 18:56:02 GMT 2025 , Edited by admin on Tue Apr 01 18:56:02 GMT 2025

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