Sodium Octyl Sulfate

Catalog	DGS142314
CAS	142-31-4
Structure
Description	Liquid
Synonyms	Octyl sodium sulfate; SOS; Sodium capryl sulfate
IUPAC Name	sodium;octyl sulfate
Molecular Weight	232.27
Molecular Formula	C8H17NaO4S
Canonical SMILES	CCCCCCCCOS(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C8H18O4S.Na/c1-2-3-4-5-6-7-8-12-13(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
InChI Key	WFRKJMRGXGWHBM-UHFFFAOYSA-M
Melting Point	195 °C (dec.) (lit.)
Purity	≥95%
Density	1.04 g/cm³
Solubility	Soluble in water (20 mg/mL)
Appearance	Powder
Complexity	198
EC Number	205-535-5
Exact Mass	232.07452447
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCOS(=O)(=O)[O-].[Na+]
MDL Number	MFCD00007470
Monoisotopic Mass	232.07452447
Rotatable Bond Count	8
Topological Polar Surface Area	74.8 Ų