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| CAS No.: | 676-46-0 |
|---|---|
| Name: | Sodium DL-Malate |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C4H4Na2O5 |
| Molecular Weight: | 178.052 |
| 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); |
| EINECS: | 211-627-6 |
| Melting Point: | >300°C (lit.) |
| Boiling Point: | 306.4 °C at 760 mmHg |
| Flash Point: | 153.4 °C |
| Appearance: | white crystalline powder |
| PSA: | 100.49000 |
| LogP: | -3.76280 |
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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. |