25022

Sodium acetate trihydrate

puriss., meets analytical specification of Ph. Eur., BP, USP, FCC, E262, 99.0-101.0% (calc. to the dried substance), ≤0.00002% Al

• Synonym(s): Acetic acid sodium salt trihydrate
• Linear Formula: CH₃COONa · 3H₂O
• CAS Number: 6131-90-4
• Molecular Weight: 136.08
• Beilstein: 3732037
• EC Number: 204-823-8
• MDL number: MFCD00071557
• UNSPSC Code: 12352300
• PubChem Substance ID: 329752766
• NACRES: NA.21

Properties

• grade: puriss.
• Assay: 99.0-101.0% (calc. to the dried substance)
• form: powder or crystals
• autoignition temp.: 1112 °F
• quality: meets analytical specification of Ph. Eur., BP, USP, FCC, E262
• impurities: organic volatile impurities, complies (GC); reducing matter, complies; residual solvents, in accordance; ≤0.00002% Al; ≤0.001% heavy metals (as Pb); ≤0.002% KMnO₄ red. matter (as O); ≤0.1% KMnO₄ red. matter (as HCOOH)
• loss: 39.0-40.5% loss on drying, 130 °C
• pH: 7.5-9.0 (20 °C, 5%)
• anion traces: chloride (Cl^-): ≤50 mg/kg; sulfate (SO₄^2-): ≤50 mg/kg
• cation traces: Al: ≤0.2 mg/kg; As: ≤2 mg/kg; Ca: ≤20 mg/kg; Cu: ≤10 mg/kg; Fe: ≤10 mg/kg; Hg: ≤1 mg/kg; K: ≤200 mg/kg; Mg: ≤20 mg/kg; Pb: ≤2 mg/kg; Zn: ≤10 mg/kg
• suitability: complies for appearance of solution
• SMILES string: O.O.O.[Na+].CC([O-])=O
• InChI: 1S/C2H4O2.Na.3H2O/c1-2(3)4;;;;/h1H3,(H,3,4);;3*1H2/q;+1;;;/p-1
• InChI key: AYRVGWHSXIMRAB-UHFFFAOYSA-M

Description

General description

Sodium acetate trihydrate can be obtained from the crystallization of sodium acetate in water. On heating at 75°C, it melts, while on heating above 120°C it loses water of crystallization and gets converted into anhydrous form. The hyperfine proton and ¹³C splittings have been evaluated by recording ESR spectra of its irradiated single crystals. ESR studies suggested the existence of trapped methyl radicals. Its crystals are monoclinic and their structure has been investigated by photographic methods. Unit cell parameters were evaluated.

Application

Sodium acetate trihydrate may be used in the fabrication of silicone/sodium acetate trihydrate hybrid, a water-responsive shape memory hybrid.

Other Notes

Enzyme substrate for acetate kinase (EC 2.7.2.1)

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 1
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable