55453

β-Hydroxyisovaleriansäure

≥95.0% (T)

• Synonym(e): 3-Hydroxy-3-methyl-buttersäure
• Empirische Formel (Hill-System): C₅H₁₀O₃
• CAS-Nummer: 625-08-1
• Molekulargewicht: 118.13
• Beilstein: 1743952
• MDL-Nummer: MFCD00059081
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 57651529
• NACRES: NA.22

Eigenschaften

• Qualitätsniveau: 100
• Assay: ≥95.0% (T)
• Brechungsindex: n20/D 1.4415 (lit.)
• bp: 88 °C/1 mmHg (lit.)
• mp (Schmelzpunkt): −80 °C (lit.)
• Dichte: 0.938 g/mL at 25 °C (lit.)
• Funktionelle Gruppe: carboxylic acid; hydroxyl
• SMILES String: CC(C)(O)CC(O)=O
• InChI: 1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)
• InChIKey: AXFYFNCPONWUHW-UHFFFAOYSA-N

Beschreibung

Anwendung

β-Hydroxyisovaleric acid can be used as as a precursor for steroid alcohols.

It is widely used in the synthesis of the anthrax tetrasaccharide and its analogs as anthrax vaccine candidates. β-hydroxyisovaleric acid can also be used in the synthesis of β-lactones by intramolecular dehydration condensation using 2-methyl-6-nitrobenzoic anhydride (MNBA).

Sicherheitshinweise

• Piktogramme: GHS07
• Signalwort: Warning
• H-Sätze: H315,H319,H335
• P-Sätze: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Gefahreneinstufungen: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Zielorgane: Respiratory system
• Lagerklassenschlüssel: 10 - Combustible liquids
• WGK: WGK 3
• Flammpunkt (°F): 235.4 °F - closed cup
• Flammpunkt (°C): 113 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Gloves, type ABEK (EN14387) respirator filter