sodium 7-ethyl-2-methylundecan-4-yl sulfate

• ChemBase ID: 132969
• Molecular Formular: C14H29NaO4S
• Molecular Mass: 316.43243
• Monoisotopic Mass: 316.16842469
• SMILES: CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+]
• Canonical SMILES: CCCCC(CCC(OS(=O)(=O)[O-])CC(C)C)CC.[Na+]
• InChI: InChI=1S/C14H30O4S.Na/c1-5-7-8-13(6-2)9-10-14(11-12(3)4)18-19(15,16)17;/h12-14H,5-11H2,1-4H3,(H,15,16,17);/q;+1/p-1
• InChIKey: FVEFRICMTUKAML-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 7-ethyl-2-methylundecan-4-yl sulfate
• IUPAC Traditional name: sodium 7-ethyl-2-methylundecan-4-yl sulfate
• Synonyms: Sodium tetradecyl sulfate; XLT4 Agar Supplement; 7-Ethyl-2-methyl-4-undecyl sulfate sodium salt; Sodium 7-ethyl-2-methyl-4-undecyl sulfate; Tergitol® 4; Niaproof® 4; 十四烷基磺酸钠; XLT4 琼脂添加剂

Database IDs

• CAS Number: 139-88-8
• MDL Number: MFCD00072416
• PubChem SID: 162227246; 24864858; 24888139; 24897487
• PubChem CID: 23665772

CALCULATED PROPERTIES

• Acid pKa: -1.0539652
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6644852
• LogD (pH = 7.4): 2.6644568
• Log P: 5.0408554
• Molar Refractivity: 76.651 cm^3
• Polarizability: 31.72469 Å^3
• Polar Surface Area: 66.43 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 1.06 g/mL at 20 °C
• Refractive Index: n20/D 1.39

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3267
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 21/22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3267 8/PG 3

Product Information

• Concentration: ~27% in H2O
• Grade: for microbiology
• Description: anionic
• Impurities: ~20% glycol; <0.001% Phosphorus (P)
• Cation Traces: Al: <0.0005%; Ca: <0.0005%; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: <0.0005%; Cu: ≤5 mg/kg; Fe: <0.0005%; Fe: ≤5 mg/kg; K: <0.005%; K: ≤100 mg/kg; Mg: <0.0005%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; NH4+: <0.1%; Ni: ≤5 mg/kg; Pb: <0.001%; Pb: ≤5 mg/kg; Zn: <0.0005%; Zn: ≤5 mg/kg
• Shelf Life: (limited shelf life, expiry date on the label)
• Product Line: BioXtra
• Empirical Formula (Hill Notation): C14H29NaO4S

DETAILS

Sigma Aldrich - N1404

Other Notes
Alkyl sodium sulfate surfactant.
Linkage
These are the same anionic surfactants formerly produced by Union Carbide under the Tergitol name.
包装
500 mL in glass bottle
法律信息
Niaproof is a registered trademark of Niacet Corp.
Tergitol is a registered trademark of Union Carbide

Sigma Aldrich - 4

Other Notes
Alkyl sodium sulfate surfactant.
Linkage
These are the same anionic surfactants formerly produced by Union Carbide under the Tergitol name.
包装
100, 500 mL in poly bottle
法律信息
Niaproof is a registered trademark of Niacet Corp.
Tergitol is a registered trademark of Union Carbide

Sigma Aldrich - 83714

Application
A supplement for XLT4 Agar Base, for the isolation and identification of pathogenic Enterobacteriaceae, especially Salmonella spp, according to Miller and Tate (1990).

Sigma Aldrich - 72216

Other Notes
Alkyl sodium sulfate surfactant.
Linkage
These are the same anionic surfactants formerly produced by Union Carbide under the Tergitol name.
Legal Information
Niaproof is a registered trademark of Niacet Corp.
Tergitol is a registered trademark of Union Carbide