sodium 2-methylprop-2-enoate

• ChemBase ID: 111176
• Molecular Formular: C4H5NaO2
• Molecular Mass: 108.07107
• Monoisotopic Mass: 108.01872368
• SMILES: [Na+].CC(=C)C(=O)[O-]
• Canonical SMILES: CC(=C)C(=O)[O-].[Na+]
• InChI: InChI=1S/C4H6O2.Na/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1
• InChIKey: SONHXMAHPHADTF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2-methylprop-2-enoate
• IUPAC Traditional name: sodium methacrylate; potassium methacrylate
• Synonyms: Methacrylic acid sodium salt; Sodium methacrylate; SODIUM METHACRYLATE; 甲基丙烯酸 钠盐; 甲基丙烯酸钠

Database IDs

• CAS Number: 5536-61-8
• EC Number: 226-896-5
• MDL Number: MFCD00045886
• Beilstein Number: 3567418
• PubChem SID: 162096069; 24865513
• PubChem CID: 3255932

CALCULATED PROPERTIES

• Acid pKa: 4.850526
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.19176336
• LogD (pH = 7.4): -1.5789503
• Log P: 0.9284978
• Molar Refractivity: 32.4856 cm^3
• Polarizability: 8.284419 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 300 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 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%; 99%
• Linear Formula: H2C=C(CH3)CO2Na

DETAILS

MP Biomedicals - 05218055

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 408212

Packaging
50, 250 g in glass bottle