sodium acetic acid acetate

• ChemBase ID: 150975
• Molecular Formular: C4H7NaO4
• Molecular Mass: 142.08575
• Monoisotopic Mass: 142.02420299
• SMILES: CC(=O)O.CC(=O)[O-].[Na+]
• Canonical SMILES: CC(=O)O.[O-]C(=O)C.[Na+]
• InChI: InChI=1S/2C2H4O2.Na/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+1/p-1
• InChIKey: BHZOKUMUHVTPBX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium acetic acid acetate
• IUPAC Traditional name: sodium acetic acid acetate
• Synonyms: Sodium hydrogen diacetate; Sodium diacetate; Acetate buffer solution pH 4.6; Acetic acid-Sodium acetate buffer 1:1 pH 4.6; Michaelis buffer; Sodium acetate buffer solution; Acetate buffer solution pH 4.65; Acetic acid - Sodium acetate solution; Sodium acetate Acetic acid solution; Sodium acetate buffer solution; 双乙酸氢钠; 双乙酸钠; pH 4.6 醋酸盐缓冲溶液; pH 4.6 1:1 醋酸-醋酸钠缓冲液; Michaelis 缓冲液; Natriumacetat-Puffer 溶液; 醋酸钠缓冲液 溶液; pH 4.65 醋酸盐缓冲溶液; 乙酸 - 乙酸钠 溶液; 乙酸钠乙酸 溶液; 醋酸钠缓冲液 溶液

Database IDs

• CAS Number: 126-96-5
• EC Number: 200-580-7; 204-814-9; 231-791-2
• MDL Number: MFCD00137248
• Beilstein Number: 3786729
• PubChem SID: 24899522; 24862166; 162245134; 24901932; 24861772; 24899767; 24860349
• PubChem CID: 23662384
• FEMA ID: 3900
• Flavis Number: 16.073

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 12.6437 cm^3
• Polarizability: 5.030792 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 323-329 °C(lit.)
• Flash Point: 104 °F; 40 °C
• pH: 4.6±0.2; 4.65 (20 °C); 4.65 (30 °C); 4.66 (10 °C); 4.66 (40 °C); 4.67 (50 °C); 4.68 (0 °C); 4.70 (60 °C); 4.72 (70 °C); 4.75 (80 °C); 4.79 (90 °C); 5.2±0.1 (25 °C); 7.0±0.05 (25 °C)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2790
• German water hazard class: 1; nwg
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-35
• Safety Statements: 23-26-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US); Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 2790 8/PG 2
• Storage Temperature: 2-8°C; room temp
• Regulation Compliance: FDA 21 CFR (184.1754)

Product Information

• Concentration: 0.1 M CH3COONa; 3 M
• Grade: for complexometry; for molecular biology
• Suitability: suitable for DNA precipitation
• Sterility: non-sterile; 0.2 μm filtered
• Quality: solution ready for use; volumetric
• Product Line: BioXtra
• Empirical Formula (Hill Notation): C4H7NaO4

DETAILS

Sigma Aldrich - S7899

Preparation Note
Prepared with molecular biology reagent sodium acetate (Product Code S 2889) and 18 megohm water.

Sigma Aldrich - S2404

Preparation Note
Prepared with molecular biology reagent sodium acetate (Product Code S 2889) and 18 megohm water.

Sigma Aldrich - W390003

Packaging
1 kg in poly bottle
1 sample in glass bottle
10, 25 kg in fiber drum

Sigma Aldrich - 31048

General description
This standard solution is tested against certified reference materials from NIST and/or PTB.
Visit our Titration Center to learn more.

Sigma Aldrich - 31103

General description
This standard solution is tested against certified reference materials from NIST and/or PTB.
Visit our Titration Center to learn more.

Sigma Aldrich - 35208

General description
Visit our Titration Center to learn more.