Basic information
- Name:
Sodium ketoisocaproate
- CAS No.:
4502-00-5
- Molecular Structure:
- Formula:
- C6H9NaO3
- Molecular Weight:
- 152.12
- 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
- Safety Description:
- 24/25-22 Details
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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.