disodium propanedioate

• ChemBase ID: 87279
• Molecular Formular: C3H2Na2O4
• Molecular Mass: 148.02512
• Monoisotopic Mass: 147.97484711
• SMILES: [Na+].[Na+].[O-]C(=O)CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)CC(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C3H4O4.2Na/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;/q;2*+1/p-2
• InChIKey: PRWXGRGLHYDWPS-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium propanedioate
• IUPAC Traditional name: disodium malonate ion; disodium malonate; dipotassium malonate ion
• Synonyms: Propane-1,3-dicarboxylic acid disodium; Disodium malonate; Malonic acid disodium salt; Sodium malonate dibasic; Malonic acid disodium salt monohydrate; Propanedioic acid disodium salt monohydrate; Sodium malonate dibasic monohydrate; SODIUM MALONATE; Malonic acid disodium salt; Carboxyacetic Acid disodium salt; Dicarboxymethane disodium salt; Methanedicarboxylic Acid disodium salt; Propanedioic Acid disodium salt; Disodium malonate; Sodium malonate; MALONIC ACID DISODIUM SALT; 丙二酸 二钠盐; 丙二酸钠盐; 丙二酸 二钠盐 一水合物; 马来酸 二钠盐 一水合物; 丙二酸钠盐 一水合物; 丙二酸二钠盐

Database IDs

• CAS Number: 26522-85-0; 141-95-7
• EC Number: 205-514-0; 205-14-0
• MDL Number: MFCD00002708
• Beilstein Number: 3917013; 3772420
• PubChem SID: 24896949; 162074390; 24882604; 24896700; 24882602
• PubChem CID: 8865
• CHEMBL: 359504
• Chemspider ID: 8532
• Wikipedia Title: Disodium_malonate

CALCULATED PROPERTIES

• Acid pKa: 2.428424
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.4132009
• LogD (pH = 7.4): -5.336086
• Log P: -0.33111727
• Molar Refractivity: 40.662 cm^3
• Polarizability: 7.372623 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 g/mL, clear, colorless; H2O: soluble1 M at 20 °C, clear, colorless
• Apperance: Powder
• Boiling Point: 659.93K

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Irritant
• RTECS: OO1750000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: R:22-36/37/38
• Safety Statements: S:25-26-36/37/39
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (NT); ≥98% (non-aqueous titration); ≥99.0% (NT); 99%
• Grade: puriss.
• Impurities: ≤0.01% Phosphorus (P); ≤0.1% Insoluble matter
• Cation Traces: Al: ≤0.0005%; Ca: ≤0.01%; Cu: ≤0.0005%; Fe: ≤0.001%; K: ≤0.005%; Mg: ≤0.005%; NH4+: ≤0.05%; Pb: ≤0.001%; Zn: ≤0.0005%
• Antion Traces: chloride (Cl-): ≤0.05%; sulfate (SO42-): ≤0.05%
• Product Line: BioXtra
• Linear Formula: CH2(CO2Na)2 · H2O; CH2(COONa)2

DETAILS

MP Biomedicals - 02199040

Disodium Salt

Sigma Aldrich - M1875

Packaging
25, 100, 500 g in poly bottle

Sigma Aldrich - 63409

Packaging
100, 500 g in poly bottle