sodium tetradecyl sulfate

• ChemBase ID: 146305
• Molecular Formular: C14H29NaO4S
• Molecular Mass: 316.43243
• Monoisotopic Mass: 316.16842469
• SMILES: CCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
• Canonical SMILES: CCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1
• InChIKey: UPUIQOIQVMNQAP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium tetradecyl sulfate
• IUPAC Traditional name: sodium tetradecyl sulfate
• Synonyms: Sodium myristyl sulfate; Sodium tetradecyl sulfate; Tetradecyl sulfate sodium salt; n-Tetradecyl sulfate sodium salt; Sodium 1-tetradecyl sulfate; 十四烷硫酸钠; 肉豆蔻醇硫酸酯钠; 十四烷基磺酸 钠盐; 正十四烷基硫酸钠

Database IDs

• CAS Number: 1191-50-0
• EC Number: 214-737-2
• MDL Number: MFCD00007468
• Beilstein Number: 3578122
• PubChem SID: 24857688; 162240503
• PubChem CID: 23665770

CALCULATED PROPERTIES

• Acid pKa: -1.4508551
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9296072
• LogD (pH = 7.4): 2.9295957
• Log P: 5.3059945
• Molar Refractivity: 77.015 cm^3
• Polarizability: 31.72469 Å^3
• Polar Surface Area: 66.43 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 182-192°C

Safety Information

• Storage Warning: Hygroscopic
• RTECS: XB8660000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 95%, cont. up to ca 5% sodium methyl sulfate
• Linear Formula: CH3(CH2)13OSO3Na

DETAILS

Sigma Aldrich - 293938

Packaging
1, 5 g in glass bottle