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127-09-3 molecular structure
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sodium acetate

ChemBase ID: 105766
Molecular Formular: C2H3NaO2
Molecular Mass: 82.03379
Monoisotopic Mass: 82.00307362
SMILES and InChIs

SMILES:
[Na+].CC(=O)[O-]
Canonical SMILES:
[O-]C(=O)C.[Na+]
InChI:
InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKey:
VMHLLURERBWHNL-UHFFFAOYSA-M

Cite this record

CBID:105766 http://www.chembase.cn/molecule-105766.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium acetate
IUPAC Systematic name
Sodium ethanoate
IUPAC Traditional name
sodium acetate
potassium acetate ion
Synonyms
Sodium acetate solution
Hot ice (Sodium acetate trihydrate)
Sodium acetate
Sodium acetate buffer solution
Buffer solution for optode membranes pH 5.1
Buffer solution for optode membranes pH 5.5
Sodium acetate
Acetic Acid, Sodium Salt
SODIUM ACETATE, USP GRADE
SODIUM ACETATE ANHYDROUS ACS REAGENT GRADE
Acetic Acid Sodium Salt
Anhydrous Sodium Acetate
SODIUM ACETATE ANHYDROUS
Acetate, Ion chromatography standard solution, Specpure®, CH3CO2- 1000 μg/ml
Sodium acetate, anhydrous, ACS
Sodium acetate, anhydrous
醋酸钠 溶液
醋酸钠缓冲液 溶液
用于光极膜的 pH 5.1 缓冲溶液
用于光极膜的 pH 5.5 缓冲溶液
乙酸 钠盐
乙酸钠
醋酸盐, 离子色谱标准溶液, Specpure®, CH3CO2- 1000μg/ml
无水乙酸钠, ACS
无水乙酸钠
CAS Number
127-09-3
EC Number
232-148-9
204-823-8
MDL Number
MFCD00282007
MFCD00012459
Beilstein Number
3595639
3732037
Merck Index
148571
PubChem SID
24886014
24886013
24899538
24886016
24859225
24899553
24899754
24886012
24888016
24899789
24899665
24899809
24881761
24853755
24888015
24854471
162092607
24899479
PubChem CID
517045
CHEBI ID
32954
ATC CODE
B05XA08
CHEMBL
1354
Chemspider ID
29105
Unique Ingredient Identifier
NVG71ZZ7P0
Wikipedia Title
Sodium_acetate

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.54344  H Acceptors
H Donor LogD (pH = 5.5) -1.2242727 
LogD (pH = 7.4) -2.9968748  Log P -0.22334571 
Molar Refractivity 23.4808 cm3 Polarizability 4.912116 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
36.2 g/100 ml (0 °C)
46.4 g/100 mL (20 °C)
139 g/100 mL (60 °C)
170.15 g/100 mL (100 °C) in water
expand Show data source
H2O: soluble1 M, clear, colorless expand Show data source
H2O: soluble100 mg/mL expand Show data source
H2O: soluble3 M at 20 °C, clear, colorless expand Show data source
soluble in ethanol (5.3 g/100 mL (trihydrate) expand Show data source
Apperance
Crystalline expand Show data source
Liquid expand Show data source
powder expand Show data source
Powder expand Show data source
solid expand Show data source
white crystalline expand Show data source
White deliquescent powder expand Show data source
Melting Point
>300 °C (dec.)(lit.) expand Show data source
324 °C with decomposition expand Show data source
324 °C (anhydrous)
58 °C (trihydrate)
expand Show data source
324°C expand Show data source
Boiling Point
> 400 °C with decomposition expand Show data source
881.4 °C (anhydrous)
122 °C (trihydrate)(decomposes)
expand Show data source
Flash Point
>250 °C expand Show data source
>482 °F expand Show data source
250 °C expand Show data source
Auto Ignition Point
1112 °F expand Show data source
600°C expand Show data source
607 °C expand Show data source
Density
1.01 g/mL at 20 °C expand Show data source
1.45 g/cm3 expand Show data source
1.528 expand Show data source
1.528 g/cm3
1.45 g/cm3 (trihydrate)
expand Show data source
Refractive Index
1.464 expand Show data source
Vapor Pressure
ca. 0 hPa at 20 °C expand Show data source
Absorption Wavelength
λ: 250 nm Amax: ≤0.05 expand Show data source
λ: 260 nm Amax: ≤0.01 expand Show data source
λ: 260 nm Amax: ≤0.030 expand Show data source
λ: 260 nm Amax: 0.03 expand Show data source
λ: 280 nm Amax: ≤0.024 expand Show data source
λ: 280 nm Amax: 0.02 expand Show data source
λ: 500 nm Amax: ≤0.01 expand Show data source
pKa
4.76 (acetic acid) expand Show data source
pKb
9.25 expand Show data source
Odor
odorless expand Show data source
pH
5.1±0.1 expand Show data source
5.5±0.1 expand Show data source
7.0-8.0 (25 °C, 3 M in H2O) expand Show data source
7.0-9.2 (25 °C, 5%) expand Show data source
7.0-9.2 (25 °C, 50 mg/mL in H2O) expand Show data source
7.5-9.2 (20 °C, 5%) expand Show data source
7.5-9.2 (20 °C, 50 mg/mL in H2O) expand Show data source
7.5-9.2 (25 °C, 50 mg/mL in H2O) expand Show data source
8.5-10.0 (25 °C, 3 M in H2O) expand Show data source
Storage Condition
Room Temperature (15-30°C), Desiccate expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
AJ4300010 expand Show data source
AJ4300010 (anhydrous)
AJ4580000
expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
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German water hazard class
1 expand Show data source
3 expand Show data source
Risk Statements
R:36/37/38 expand Show data source