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| Name |
5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one sodium salt |
EINECS | N/A |
| CAS No. | 70145-54-9 | Density | g/cm3 |
| PSA | 73.50000 | LogP | 0.27590 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H5O4•Na | Boiling Point | 401.7°Cat760mmHg |
| Molecular Weight | 164.10 | Flash Point | 179.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intravenous route. When heated to decomposition it emits toxic fumes of Na2O. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-Hydroxy-2-hydroxymethyl-pyran-4-on, Natrium-Salz;5-hydroxy-2-hydroxymethyl-pyran-4-one, sodium-salt; |
5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one sodium salt Chemical Properties
Molecule structure of 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one sodium salt (CAS NO.70145-54-9):
IUPAC Name: Sodium (5-hydroxy-4-oxopyran-2-yl)methanolate
Molecular Weight: 164.09127 g/mol
Molecular Formula: C6H5NaO4
Boiling Point: 401.7 °C at 760 mmHg
Flash Point: 179.9 °C
Enthalpy of Vaporization: 75.44 kJ/mol
Vapour Pressure: 4.01E-08 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 164.008553
MonoIsotopic Mass: 164.008553
Topological Polar Surface Area: 69.6
Heavy Atom Count: 11
Complexity: 219
Canonical SMILES: C1=C(OC=C(C1=O)O)C[O-].[Na+]
InChI: InChI=1S/C6H5O4.Na/c7-2-4-1-5(8)6(9)3-10-4;/h1,3,9H,2H2;/q-1;+1
InChIKey of 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one sodium salt (CAS NO.70145-54-9): XDGSAVMIBSOBNL-UHFFFAOYSA-N
5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one sodium salt Toxicity Data With Reference
| 1. | ivn-rat LDLo:1000 mg/kg | SCIEAS Science. 80 (1934),34. | ||
| 2. | ivn-dog LDLo:1000 mg/kg | SCIEAS Science. 80 (1934),34. | ||
| 3. | ivn-rbt LDLo:1000 mg/kg | SCIEAS Science. 80 (1934),34. |
5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one sodium salt Safety Profile
Moderately toxic by intravenous route. When heated to decomposition it emits toxic fumes of Na2O.
5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one sodium salt Specification
5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one sodium salt (CAS NO.70145-54-9) is also named as 4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-, sodium salt .
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