68255

4-Methyl-2-oxo-pentansäure

≥98.0% (T)

• Synonym(e): α-Ketoisocapronsäure, 2-Oxo-isocapronsäure, 4-Methyl-2-Oxovaleriansäure, Ketoleucin
• Lineare Formel: (CH₃)₂CHCH₂COCOOH
• CAS-Nummer: 816-66-0
• Molekulargewicht: 130.14
• Beilstein: 1701823
• EG-Nummer: 212-435-5
• MDL-Nummer: MFCD00066204
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 57652142
• NACRES: NA.22

Eigenschaften

• Assay: ≥98.0% (T)
• Brechungsindex: n20/D 1.431
• bp: 82-83 °C/11 mmHg (lit.)
• mp (Schmelzpunkt): 8-10 °C
• Dichte: 1.055 g/mL at 20 °C (lit.)
• Funktionelle Gruppe: carboxylic acid; ketone
• Lagertemp.: 2-8°C
• SMILES String: CC(C)CC(=O)C(O)=O
• InChI: 1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
• InChIKey: BKAJNAXTPSGJCU-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

4-Methyl-2-oxovaleric acid, also known as α-ketoisocaproic acid (KIC), is a metabolite of leucine. [1]It is commonly used as a building block in the synthesis of leucine and its derivatives, and it plays a role in amination reactions and asymmetric synthesis.[2] Additionally, KIC serves as an intermediate in the formation of Strecker aldehydes.[3]

Anwendung

• Role in Human Brain Ketometabolism: 4-Methyl-2-oxovaleric acid has been implicated in the temporal patterns of ketometabolism in cerebral microdialysis fluids of patients with traumatic brain injury, underscoring its significance in biochemical pathways within the brain (Eiden et al., 2019).

Sicherheitshinweise

• Piktogramme: GHS05
• Signalwort: Danger
• H-Sätze: H314
• P-Sätze: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• Gefahreneinstufungen: Skin Corr. 1B
• Lagerklassenschlüssel: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Persönliche Schutzausrüstung: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter