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6100-05-6 molecular structure
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tripotassium 2-hydroxypropane-1,2,3-tricarboxylate hydrate

ChemBase ID: 130816
Molecular Formular: C6H7K3O8
Molecular Mass: 324.40988
Monoisotopic Mass: 323.90521222
SMILES and InChIs

SMILES:
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.[K+].[K+].[K+]
Canonical SMILES:
[O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.O.[K+].[K+].[K+]
InChI:
InChI=1S/C6H8O7.3K.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;1H2/q;3*+1;/p-3
InChIKey:
PJAHUDTUZRZBKM-UHFFFAOYSA-K

Cite this record

CBID:130816 http://www.chembase.cn/molecule-130816.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tripotassium 2-hydroxypropane-1,2,3-tricarboxylate hydrate
IUPAC Traditional name
tripotassium citrate hydrate
Synonyms
Potassium citrate tribasic monohydrate
Citric acid tripotassium salt
Tripotassium citrate
Citric acid tripotassium salt monohydrate
Potassium citrate tribasic monohydrate
Tripotassium citrate monohydrate
Potassium citrate tribasic solution
Kalii citras
柠檬酸 三钾盐
柠檬酸三钾
柠檬酸钾 三元 一水合物
柠檬酸钾单水合物
柠檬酸钾
CAS Number
6100-05-6
866-84-2
EC Number
231-905-0
212-755-5
MDL Number
MFCD00150442
Beilstein Number
3924344
Merck Index
147623
PubChem SID
162225094
24881805
24889207
24892561
24855102
24898240
24893055
PubChem CID
2735208

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.0479515  H Acceptors
H Donor LogD (pH = 5.5) -4.949584 
LogD (pH = 7.4) -9.468992  Log P -1.3226875 
Molar Refractivity 68.1352 cm3 Polarizability 14.119506 Å3
Polar Surface Area 140.62 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble1 M at 20 °C, clear, colorless expand Show data source
H2O: soluble1 m at 20 °C, clear, colorless expand Show data source
Soluble in water and glycerol. Practically insoluble in alcohol expand Show data source
Apperance
Granular expand Show data source
Melting Point
230°C dec. expand Show data source
275 °C (dec.)(lit.) expand Show data source
Density
1.98 expand Show data source
Absorption Wavelength
λ: 260 nm Amax: ≤0.06 expand Show data source
λ: 260 nm Amax: 0.045 expand Show data source
λ: 280 nm Amax: ≤0.03 expand Show data source
λ: 280 nm Amax: 0.025 expand Show data source
pH
7.5-9.0 (25 °C, 50 mg/mL in H2O) expand Show data source
7-9 (20 °C, 5%) expand Show data source
8.0-9.5 (25 °C, 1 M in H2O) 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
German water hazard class
1 expand Show data source
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98% (GC/titration) expand Show data source
≥99% expand Show data source
≥99.0% expand Show data source
≥99.0% (NT) expand Show data source
≥99.5% (NT) expand Show data source
99+% expand Show data source
99-100.5% (calc with ref. to anhyd. subst.) expand Show data source
Concentration
1 M in H2O expand Show data source
Grade
eluent additive for LC-MS expand Show data source
Ph Eur expand Show data source
purum p.a. expand Show data source
SAJ special grade expand Show data source
Suitability
in accordance for appearance of solution expand Show data source
meets USP testing specifications expand Show data source
passes test for LC-MS expand Show data source
passes test for reaction against H2SO4 expand Show data source
Impurities
≤0.0005% heavy metals (as Pb) expand Show data source
4-6% water (Karl Fischer) expand Show data source
insoluble matter, passes filter test expand Show data source
Cation Traces
Al: ≤1 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
Ba: ≤1 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤1 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Ca: ≤5 mg/kg expand Show data source
Ca: ≤50 mg/kg expand Show data source
Cd: ≤1 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤1 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤1 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤1 mg/kg 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: ≤1 mg/kg expand Show data source
Fe: ≤10 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
Fe: ≤50 mg/kg expand Show data source
Hg: ≤1 mg/kg expand Show data source
Li: ≤1 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤1 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤1 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤1 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤1000 mg/kg expand Show data source
Na: ≤1500 mg/kg expand Show data source
Na: ≤3000 mg/kg expand Show data source
Na: ≤500 mg/kg expand Show data source
Ni: ≤1 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤1 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Sr: ≤1 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤1 mg/kg 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-): ≤30 mg/kg expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
oxalate (as oxalic acid): ≤100 mg/kg expand Show data source
sulfate (SO42-): ≤50 mg/kg expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Loss on Drying
~5.5% loss on drying expand Show data source
3-6 loss on drying, 180°C expand Show data source
Quality
meets analytical specification of Ph. Eur., BP, FCC, E332 expand Show data source
λ
1 M in H2O expand Show data source
Pharmacopeia
testing & handling conforms to Pharmacopeia expand Show data source
Product Line
BioUltra expand Show data source
Linear Formula
HOC(COOK)(CH2COOK)2 · H2O expand Show data source
Empirical Formula (Hill Notation)
C6H5K3O7 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - C8385 external link
包装
1 kg in poly bottle
500 g in poly bottle
Sigma Aldrich - 360171 external link
Packaging
25, 500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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