68255

4-Methyl-2-oxovaleric acid

≥98.0% (T)

• Sinônimo(s): α-Ketoisocaproic acid, 2-Oxoisocaproic acid, 4-Methyl-2-oxopentanoic acid, Ketoleucine
• Fórmula linear: (CH₃)₂CHCH₂COCOOH
• Número CAS: 816-66-0
• Peso molecular: 130.14
• Beilstein: 1701823
• Número CE: 212-435-5
• Número MDL: MFCD00066204
• Código UNSPSC: 12352100
• ID de substância PubChem: 57652142
• NACRES: NA.22

Propriedades

• Ensaio: ≥98.0% (T)
• índice de refração: n20/D 1.431
• p.e.: 82-83 °C/11 mmHg (lit.)
• pf: 8-10 °C
• densidade: 1.055 g/mL at 20 °C (lit.)
• grupo funcional: carboxylic acid; ketone
• temperatura de armazenamento: 2-8°C
• cadeia de caracteres SMILES: 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)
• chave InChI: BKAJNAXTPSGJCU-UHFFFAOYSA-N

Descrição

Descrição geral

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]

Aplicação

• 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).

Informações de segurança

• Pictogramas: GHS05
• Palavra indicadora: Danger
• Frases de perigo: H314
• Declarações de precaução: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• Classificações de perigo: Skin Corr. 1B
• Código de classe de armazenamento: 8A - Combustible corrosive hazardous materials
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): Not applicable
• Ponto de fulgor (°C): Not applicable
• Equipamento de proteção individual: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter