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| CAS No.: | 4502-00-5 |
|---|---|
| Name: | Sodium ketoisocaproate |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H9NaO3 |
| Molecular Weight: | 152.125 |
| Synonyms: | Pentanoicacid, 4-methyl-2-oxo-, sodium salt (9CI);Valeric acid, 4-methyl-2-oxo-, sodiumsalt (8CI);2-Ketoisocaproic acid sodium salt;2-Oxo-4-methylpentanoic acidsodium salt;4-Methyl-2-oxopentanoic acid sodium salt;Sodium2-ketoisocaproate;Sodium 4-methyl-2-oxopentanoate;Sodium4-methyl-2-oxovalerate;Sodium a-keto-isocaproate;Sodium a-ketoisocaproate;Sodium a-oxoisocaproate;Pentanoic acid,4-methyl-2-oxo-, sodium salt (1:1); |
| EINECS: | 224-816-3 |
| Melting Point: | 275 °C (dec.)(lit.) |
| Boiling Point: | 190.5 °C at 760 mmHg |
| Flash Point: | 83.3 °C |
| Appearance: | COA |
| Safety: | 24/25-22 |
| PSA: | 57.20000 |
| LogP: | -0.64850 |
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Chemistry
IUPAC Name: Sodium 4-methyl-2-oxopentanoate
Following is the structure of Sodium ketoisocaproate (CAS NO.4502-00-5):
Empirical Formula: C6H9NaO3
Molecular Weight: 152.1236
EINECS: 224-816-3
Flash Point: 83.3 °C
Storage temp.: 2-8 °C
Melting point: 275 °C (dec.)(lit.)
Enthalpy of Vaporization: 47.04 kJ/mol
Boiling Point: 190.5 °C at 760 mmHg
Vapour Pressure of Sodium ketoisocaproate (CAS NO.4502-00-5): 0.239 mmHg at 25 °C
Product Categories of Sodium ketoisocaproate (CAS NO.4502-00-5): pharmacetical
Canonical SMILES: CC(C)CC(=O)C(=O)[O-].[Na+]
InChI: InChI=1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1
InChIKey: IXFAZKRLPPMQEO-UHFFFAOYSA-M
Toxicity Data With Reference
Sodium ketoisocaproate (CAS NO.4502-00-5) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.
Safety Profile
Safety Statements: 24/25-22
S24/25:Avoid contact with skin and eyes.
S22:Do not breathe dust.
WGK Germany: 3
Specification
Sodium ketoisocaproate , its cas register number 4502-00-5. It also can be called Sodium alpha-ketoisocaproate ; Sodium 4-methyl-2-oxovalerate ; and 4-Methyl-2-oxopentanoic acid sodium salt .
Sodium ketoisocaproate (CAS NO.4502-00-5) should avoid the condition like incompatible materials, dust generation. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide, sodium oxide. However, its hazardous polymerization will not occur.