sodium 2-ethylhexyl sulfate

• ChemBase ID: 152244
• Molecular Formular: C8H17NaO4S
• Molecular Mass: 232.27295
• Monoisotopic Mass: 232.07452431
• SMILES: CCCCC(CC)COS(=O)(=O)[O-].[Na+]
• Canonical SMILES: CCCCC(COS(=O)(=O)[O-])CC.[Na+]
• InChI: InChI=1S/C8H18O4S.Na/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H,9,10,11);/q;+1/p-1
• InChIKey: DGSDBJMBHCQYGN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2-ethylhexyl sulfate
• IUPAC Traditional name: sodium 2-ethylhexyl sulfate
• Synonyms: Niaproof®; Sodium 2-ethylhexyl sulfate; 2-乙基己基硫酸酯 钠盐; 2-乙基己基硫酸酯钠盐

Database IDs

• CAS Number: 126-92-1
• MDL Number: MFCD00042047
• Beilstein Number: 5177087
• PubChem SID: 162246389; 24886024
• PubChem CID: 23662383

CALCULATED PROPERTIES

• Acid pKa: -1.2324681
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.18260679
• LogD (pH = 7.4): 0.18258798
• Log P: 2.5589864
• Molar Refractivity: 49.2796 cm^3
• Polarizability: 20.734047 Å^3
• Polar Surface Area: 66.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.12 g/mL at 20 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Concentration: ~50% in H2O
• Description: anionic
• Empirical Formula (Hill Notation): C8H17NaO4S

DETAILS

Sigma Aldrich - 71220

Other Notes
烷基硫酸钠表面活性剂。
包装
1 L in poly bottle
法律信息
Niaproof 注册商标 Niacet Corp.