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Sodium malate

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Name

Sodium malate

EINECS 211-627-6
CAS No. 676-46-0 Density N/A
PSA 100.49000 LogP -3.76280
Solubility N/A Melting Point >300°C (lit.)
Formula C4H4Na2O5 Boiling Point 306.4 °C at 760 mmHg
Molecular Weight 178.052 Flash Point 153.4 °C
Transport Information N/A Appearance white crystalline powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 676-46-0 (Sodium DL-Malate) Hazard Symbols N/A
Synonyms

Butanedioicacid, hydroxy-, disodium salt (9CI);Malic acid, disodium salt (8CI);Sodiummalate (Na2(C4H4O5)) (7CI);DL-Malic acid disodium salt;Disodium DL-malate;Sodium malate;Butanedioic acid,2-hydroxy-, sodium salt (1:2);

Article Data 3

Sodium malate Specification

The Malic acid, sodium salt is an organic compound with the formula C4H4Na2O5. The IUPAC name of this chemical is disodium 2-hydroxybutanedioate. With the CAS registry number 676-46-0, it is also named as Disodium DL-malate. Besides, it should be stored in a closed and dry place. It can be used for biochemical research and can be used as buffers and flavoring agents.

Physical properties about Malic acid, sodium salt are: (1)ACD/LogP: -1.26; (2)ACD/LogD (pH 5.5): -4.43; (3)ACD/LogD (pH 7.4): -6; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 83.83 Å2; (12)Flash Point: 153.4 °C; (13)Enthalpy of Vaporization: 63.43 kJ/mol; (14)Boiling Point: 306.4 °C at 760 mmHg; (15)Vapour Pressure: 7.19E-05 mmHg at 25°C.

You can still convert the following datas into molecular 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.

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