CAS No.22798-10-3,DL-Malic acid disodium salt Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	22798-10-3
Name:	DL-Malic acid disodium salt
Article Data:	3

Formula:	C₄H₄Na₂O₅
Molecular Weight:	178.052
Synonyms:	Disodium DL-malate;Malic acid, disodium salt;Natriummalat;Butanedioic acid, hydroxy-, disodium salt;
EINECS:	211-627-6
Melting Point:	>300 °C
Boiling Point:	306.4 °C at 760 mmHg
Flash Point:	153.4 °C
PSA:	100.49000
LogP:	-3.76280

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Specification

The IUPAC name of DL-Malic acid disodium salt is disodium 2-hydroxybutanedioate. With the CAS registry number 22798-10-3, it is also named as Butanedioic acid, hydroxy-, disodium salt. The product's other registry number is 22798-10-3. In addition, its molecular formula is C₄H₄Na₂O₅ and molecular weight is 178.05.

The other characteristics of DL-Malic acid disodium salt can be summarized as: (1)ACD/LogP: -1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.43; (4)ACD/LogD (pH 7.4): -6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)H bond acceptors: 5; (10)H bond donors: 3; (11)Freely Rotating Bonds: 4; (12)Rotatable Bond Count: 1; (13)Exact Mass: 177.985413; (14)MonoIsotopic Mass: 177.985413; (15)Topological Polar Surface Area: 101; (16)Heavy Atom Count: 11; (17)Complexity: 118; (18)Flash Point: 153.4 °C; (19)Melting Point: >300 °C; (20)Enthalpy of Vaporization: 63.43 kJ/mol; (21)Boiling Point: 306.4 °C at 760 mmHg; (22)Vapour Pressure: 7.19E-05 mmHg at 25 °C; (23)EINECS: 211-627-6.

People can use the following data to convert to the molecule structure.
(1)SMILES:[Na+].[Na+].[O-]C(=O)CC(O)C([O-])=O
(2)InChI:InChI=1/C4H6O5.2Na/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2
(3)InChIKey:WPUMTJGUQUYPIV-NUQVWONBAU
(4)Std. InChI:InChI=1S/C4H6O5.2Na/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2
(5)Std. InChIKey:WPUMTJGUQUYPIV-UHFFFAOYSA-L

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LDLo	subcutaneous	3300mg/kg (3300mg/kg)		Journal of Biological Chemistry. Vol. 28, Pg. 185, 1917.
rat	LD50	subcutaneous	3500mg/kg (3500mg/kg)	PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE WEAKNESS	Journal of Pharmacology and Experimental Therapeutics. Vol. 25, Pg. 467, 1925.