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41484-91-7 molecular structure
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sodium acetate trihydrate

ChemBase ID: 105586
Molecular Formular: C2H9NaO5
Molecular Mass: 136.07963
Monoisotopic Mass: 136.03476767
SMILES and InChIs

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

Cite this record

CBID:105586 http://www.chembase.cn/molecule-105586.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

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
Freely soluble in alcohol expand Show data source
H2O: soluble1 M at 20 °C, clear, colorless expand Show data source
H2O: soluble3 M at 20 °C, clear, colorless expand Show data source
Apperance
Crystalline expand Show data source
Powder expand Show data source
Melting Point
56-64°C expand Show data source
58°C expand Show data source
62-64°C expand Show data source
Auto Ignition Point
1112 °F expand Show data source
Density
1.45 expand Show data source
Absorption Wavelength
λ: 260 nm Amax: ≤0.01 expand Show data source
λ: 280 nm Amax: ≤0.01 expand Show data source
pKa
4.76 (acetic acid) expand Show data source
pH
7.5-9.0 (20 °C, 5%) expand Show data source
7.5-9.0 (25 °C, 50 mg/mL in H2O) expand Show data source
7.5-9.2 (25 °C, 5%) 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) expand Show data source
RTECS
AJ4580000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
R:36/37/38 expand Show data source
Safety Statements
S:20-25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.5% expand Show data source
≥99% expand Show data source
≥99.0% expand Show data source
≥99.0% (NT) expand Show data source
≥99.5% expand Show data source
≥99.5% (NT) expand Show data source
99% expand Show data source
99.0%-100.5% expand Show data source
99.0-101% (ACS specification) expand Show data source
99.0-101.0% (calc. to the dried substance) expand Show data source
99.9985% (metals basis) expand Show data source
Grade
ACS expand Show data source
ACS reagent expand Show data source
ACS reagent, reag. ISO, reag. Ph. Eur. expand Show data source
HPLC expand Show data source
JIS special grade expand Show data source
puriss. expand Show data source
puriss. p.a. expand Show data source
purum p.a. expand Show data source
REAGENT expand Show data source
ReagentPlus® expand Show data source
SAJ first grade expand Show data source
USP expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Suitability
complies for appearance of solution expand Show data source
in accordance for appearance of solution expand Show data source
meets USP testing specifications expand Show data source
suitable for amino acid analysis expand Show data source
Impurities
≤0.00002% Al expand Show data source
≤0.0005% heavy metals (as Pb) expand Show data source
≤0.0005% Phosphorus (P) expand Show data source
≤0.001% heavy metals (as Pb) expand Show data source
≤0.002% KMnO4 red. matter (as O) expand Show data source
≤0.005% in water soluble matter expand Show data source
≤0.005% insolubles expand Show data source
≤0.005% KMnO4 red. matter (as HCOOH) expand Show data source
≤0.005% KMnO4-reducing matter (as HCOOH) expand Show data source
≤0.1% Insoluble matter expand Show data source
≤0.1% KMnO4 red. matter (as HCOOH) expand Show data source
insoluble matter, passes filter test expand Show data source
MnO4- reducers, passes test expand Show data source
organic volatile impurities, complies (GC) expand Show data source
reducing matter, complies expand Show data source
residual solvents, in accordance expand Show data source
Cation Traces
Al: ≤0.0005% expand Show data source
Al: ≤0.2 mg/kg expand Show data source
Al: ≤5 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
As: ≤1 mg/kg expand Show data source
As: ≤2 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤0.0005% expand Show data source
Ca: ≤0.005% expand Show data source
Ca: ≤10 mg/kg expand Show data source
Ca: ≤20 mg/kg expand Show data source
Ca: ≤50 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤0.0005% expand Show data source
Cu: ≤10 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤0.0005% expand Show data source
Fe: ≤10 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
Fe: ≤5 ppm expand Show data source
Fe: ≤50 mg/kg expand Show data source
heavy metals (as Pb): ≤5 ppm expand Show data source
Hg: ≤1 mg/kg expand Show data source
K: ≤0.005% expand Show data source
K: ≤100 mg/kg expand Show data source
K: ≤200 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤0.0005% expand Show data source
Mg: ≤0.002% expand Show data source
Mg: ≤20 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
NH4+: ≤0.05% expand Show data source
Ni: ≤5 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤0.001% expand Show data source
Pb: ≤2 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤0.0005% expand Show data source
Zn: ≤10 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤0.001% expand Show data source
chloride (Cl-): ≤5 mg/kg expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
phosphate (PO43-): ≤5 mg/kg expand Show data source
phosphate (PO43-): ≤5 ppm expand Show data source
sulfate (SO42-): ≤0.002% expand Show data source
sulfate (SO42-): ≤20 mg/kg expand Show data source
sulfate (SO42-): ≤50 mg/kg expand Show data source
Loss on Drying
39.0-40.5% loss on drying, 130 °C expand Show data source
Quality Level
PREMIUM expand Show data source
Quality
meets analytical specification of Ph. Eur., BP, FCC, E262 expand Show data source
λ
3 M in H2O expand Show data source
Product Line
BioUltra expand Show data source
Linear Formula
CH3COONa · 3H2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02191433 external link
Trihydrate
ACS Reagent Grade
Crystalline
Insoluble Matter: =0.005%
Sigma Aldrich - 71188 external link
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 external link
Other Notes
Enzyme substrate for acetate kinase (EC 2.7.2.1)
Sigma Aldrich - 71190 external link
Other Notes
Enzyme substrate for acetate kinase (EC 2.7.2.1)
Sigma Aldrich - 236500 external link
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 external link
Other Notes
乙酸激酶的底物 (EC 2.7.2.1)
Sigma Aldrich - S7670 external link
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 - 32318 external link
Other Notes
Enzyme substrate for acetate kinase (EC 2.7.2.1)
Sigma Aldrich - 25022 external link
Other Notes
Enzyme substrate for acetate kinase (EC 2.7.2.1)
Sigma Aldrich - S8625 external link
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 - 28-1570 external link
Other Notes
Enzyme substrate for acetate kinase (EC 2.7.2.1)
Sigma Aldrich - 28-1580 external link
Other Notes
Enzyme substrate for acetate kinase (EC 2.7.2.1)
Sigma Aldrich - 28-1560 external link
Other Notes
Enzyme substrate for acetate kinase (EC 2.7.2.1)

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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