sodium acetate trihydrate

• ChemBase ID: 105586
• Molecular Formular: C2H9NaO5
• Molecular Mass: 136.07963
• Monoisotopic Mass: 136.03476767
• SMILES: O.O.O.[Na+].CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.O.O.O.[Na+]
• InChI: InChI=1S/C2H4O2.Na.3H2O/c1-2(3)4;;;;/h1H3,(H,3,4);;3*1H2/q;+1;;;/p-1
• InChIKey: AYRVGWHSXIMRAB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium acetate trihydrate
• IUPAC Traditional name: sodium acetate trihydrate; potassium acetate ion trihydrate
• Synonyms: Acetic acid sodium salt trihydrate; Sodium acetate trihydrate, ACS; Acetic acid sodium salt hydrate; Sodium acetate hydrate, Puratronic®; Sodium acetate trihydrate; SODIUM ACETATE, U.S.P.; SODIUM ACETATE TRIHYDRATE, HPLC GRADE; SODIUM ACETATE TRIHYDRATE ACS REAGENT GRADE; 三水乙酸钠; 三水乙酸钠, ACS; 水合乙酸钠, Puratronic®; 乙酸 钠盐 三水合物; 乙酸钠 三水合物

Database IDs

• CAS Number: 6131-90-4; 41484-91-7
• EC Number: 204-823-8
• MDL Number: MFCD00071557
• Beilstein Number: 3732037
• Merck Index: 148571
• PubChem SID: 162092532; 24899801; 24899472; 24855042; 24899760; 24886015; 24859223; 24854176
• PubChem CID: 23665404

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Freely soluble in alcohol; H2O: soluble1 M at 20 °C, clear, colorless; H2O: soluble3 M at 20 °C, clear, colorless
• Apperance: Crystalline; Powder
• Melting Point: 56-64°C; 58°C; 62-64°C
• Auto Ignition Point: 1112 °F
• Density: 1.45
• Absorption Wavelength: λ: 260 nm Amax: ≤0.01; λ: 280 nm Amax: ≤0.01
• pKa: 4.76 (acetic acid)
• pH: 7.5-9.0 (20 °C, 5%); 7.5-9.0 (25 °C, 50 mg/mL in H2O); 7.5-9.2 (25 °C, 5%); 7.5-9.2 (25 °C, 50 mg/mL in H2O); 8.5-10.0 (25 °C, 3 M in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AJ4580000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.5%; ≥99%; ≥99.0%; ≥99.0% (NT); ≥99.5%; ≥99.5% (NT); 99%; 99.0%-100.5%; 99.0-101% (ACS specification); 99.0-101.0% (calc. to the dried substance); 99.9985% (metals basis)
• Grade: ACS; ACS reagent; ACS reagent, reag. ISO, reag. Ph. Eur.; HPLC; JIS special grade; puriss.; puriss. p.a.; purum p.a.; REAGENT; ReagentPlus®; SAJ first grade; USP
• Suitability: complies for appearance of solution; in accordance for appearance of solution; meets USP testing specifications; suitable for amino acid analysis
• Impurities: ≤0.00002% Al; ≤0.0005% heavy metals (as Pb); ≤0.0005% Phosphorus (P); ≤0.001% heavy metals (as Pb); ≤0.002% KMnO4 red. matter (as O); ≤0.005% in water soluble matter; ≤0.005% insolubles; ≤0.005% KMnO4 red. matter (as HCOOH); ≤0.005% KMnO4-reducing matter (as HCOOH); ≤0.1% Insoluble matter; ≤0.1% KMnO4 red. matter (as HCOOH); insoluble matter, passes filter test; MnO4- reducers, passes test; organic volatile impurities, complies (GC); reducing matter, complies; residual solvents, in accordance
• Cation Traces: Al: ≤0.0005%; Al: ≤0.2 mg/kg; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; As: ≤1 mg/kg; As: ≤2 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.0005%; Ca: ≤0.005%; Ca: ≤10 mg/kg; Ca: ≤20 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤10 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.0005%; Fe: ≤10 mg/kg; Fe: ≤5 mg/kg; Fe: ≤5 ppm; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤5 ppm; Hg: ≤1 mg/kg; K: ≤0.005%; K: ≤100 mg/kg; K: ≤200 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤0.002%; Mg: ≤20 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; NH4+: ≤0.05%; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤0.001%; Pb: ≤2 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤10 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.001%; chloride (Cl-): ≤5 mg/kg; chloride (Cl-): ≤50 mg/kg; phosphate (PO43-): ≤5 mg/kg; phosphate (PO43-): ≤5 ppm; sulfate (SO42-): ≤0.002%; sulfate (SO42-): ≤20 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: 39.0-40.5% loss on drying, 130 °C
• Quality Level: PREMIUM
• Quality: meets analytical specification of Ph. Eur., BP, FCC, E262
• λ: 3 M in H2O
• Product Line: BioUltra
• Linear Formula: CH3COONa · 3H2O

DETAILS

MP Biomedicals - 02191433

Trihydrate
ACS Reagent Grade
Crystalline
Insoluble Matter: =0.005%

Sigma Aldrich - 71188

Other Notes
Enzyme substrate for acetate kinase (EC 2.7.2.1)
Enzyme substrate for acetate kinase (EC 2.7.2.1)1

Sigma Aldrich - 71193

Other Notes
Enzyme substrate for acetate kinase (EC 2.7.2.1)

Sigma Aldrich - 71190

Other Notes
Enzyme substrate for acetate kinase (EC 2.7.2.1)

Sigma Aldrich - 236500

Other Notes
Enzyme substrate for acetate kinase (EC 2.7.2.1)
Packaging
1, 2.5 kg in poly bottle
12 kg in fiber drum
25, 500 g in poly bottle

Sigma Aldrich - S1304

Other Notes
乙酸激酶的底物 (EC 2.7.2.1)

Sigma Aldrich - 28-1560

Other Notes
Enzyme substrate for acetate kinase (EC 2.7.2.1)

Sigma Aldrich - 32318

Other Notes
Enzyme substrate for acetate kinase (EC 2.7.2.1)

Sigma Aldrich - S7670

Other Notes
乙酸激酶的底物 (EC 2.7.2.1)
包装
1 kg in poly bottle
250, 500 g in poly bottle
5 kg in poly drum

Sigma Aldrich - 28-1570

Other Notes
Enzyme substrate for acetate kinase (EC 2.7.2.1)

Sigma Aldrich - 25022

Other Notes
Enzyme substrate for acetate kinase (EC 2.7.2.1)

Sigma Aldrich - S8625

Other Notes
乙酸激酶的底物 (EC 2.7.2.1)
包装
1, 2 kg in poly bottle
250, 500 g in poly bottle
5 kg in poly drum
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 28-1580

Other Notes
Enzyme substrate for acetate kinase (EC 2.7.2.1)