CAS No.127-95-7,Potassium binoxalate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	127-95-7
Name:	Potassium binoxalate

Formula:	C₂HKO₄
Molecular Weight:	128.126
Synonyms:	Essential salt of lemon;Oxalic acid, monopotassium salt;Potassium hydrogen oxalate;Potassium oxalate (KHC2O4);Monopotassium oxalate;
EINECS:	204-873-0
Density:	2.088 [HAW93]
Boiling Point:	365.1°C at 760 mmHg
Flash Point:	188.8°C
Solubility:	soluble 40 parts cold H2O, 6 parts boiling H2O [MER06]
Appearance:	white crystalline powder
Transport Information:	UN 2811
PSA:	77.43000
LogP:	-2.17910

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Consensus Reports

OXALIC ACID, MONOPOTASSIUM SALT was reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD

Specification

The IUPAC name of Potassium binoxalate is potassium 2-hydroxy-2-oxoacetate. With the CAS registry number 127-95-7, it is also named as Oxalic acid, monopotassium salt. The product's classification code is Human Data. Besides, it is white crystalline powder, which is generally soluble in water. And below 50 °C, this chemical reacts to form the much less soluble potassium tetraoxalate, which separates out.

The other characteristics of this product can be summarized as: (1)EINECS: 204-873-0; (2)ACD/LogP: -1.19; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -5.7; (5)ACD/LogD (pH 7.4): -5.94; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)H bond acceptors: 4; (11)H bond donors: 2; (12)Freely Rotating Bonds: 1; (13)Polar Surface Area: 63.6 Å²; (14)Density: 2.0 g/mL at 25 °C; (15)Flash Point: 188.8 °C; (16)Enthalpy of Vaporization: 67.15 kJ/mol; (17)Boiling Point: 365.1 °C at 760 mmHg; (18)Vapour Pressure: 2.51E-06 mmHg at 25 °C.

Preparation of Potassium binoxalate: Please dissolve 12.6 g Oxalic acid dihydrate in 300mL water. And please dissolve 18.4 g Potassium oxalate monohydrate in 100mL water. Then you should add aqueous solution of potassium oxalate to aqueous solution of Oxalic acid at 3 °C. After that, please place it at 0 °C for 24h. Finally, separate it out.

When you are using this chemical, please be cautious about it as the following: inhalation of its dust may cause irritation of nose and throat. And ingestion it may cause burning pain in throat, esophagus, and stomach. In addition, the exposed areas of mucous membrane would turn white, vomiting, severe purging, weak pulse, and cardiovascular collapse. It may cause mild irritation of skin and eyes if contact with dust.

People can use the following data to convert to the molecule structure.
(1)SMILES:[K+].[O-]C(=O)C(=O)O
(2)InChI:InChI=1/C2H2O4.K/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-1
(3)InChIKey:JMTCDHVHZSGGJA-REWHXWOFAF
(4)Std. InChI:InChI=1S/C2H2O4.K/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-1
(5)Std. InChIKey:JMTCDHVHZSGGJA-UHFFFAOYSA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	intravenous	1071mg/kg (1071mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: CHANGE IN STRUCTURE OR FUNCTION OF ESOPHAGUS GASTROINTESTINAL: NAUSEA OR VOMITING	Medecine Legale et Dommage Corporel. Vol. 4, Pg. 178, 1971.
women	LDLo	oral	660mg/kg (660mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION	Muenchener Medicinische Wochenschrift. Vol. 79, Pg. 1481, 1932.
women	TDLo	oral	100mg/kg (100mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED	Muenchener Medicinische Wochenschrift. Vol. 79, Pg. 1481, 1932.
women	TDLo	oral	400mg/kg (400mg/kg)	BEHAVIORAL: FLUID INTAKE VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION GASTROINTESTINAL: NAUSEA OR VOMITING	Muenchener Medicinische Wochenschrift. Vol. 79, Pg. 1481, 1932.