55453

β-Hydroxyisovaleric acid

≥95.0% (T)

• Synonym(s): 3-Hydroxy-3-methylbutyric acid
• Empirical Formula (Hill Notation): C₅H₁₀O₃
• CAS Number: 625-08-1
• Molecular Weight: 118.13
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 57651529
• MDL number: MFCD00059081
• Beilstein/REAXYS Number: 1743952
• eCl@ss: 32150312
• Assay: ≥95.0% (T)

Properties

• Quality Segment: 100
• assay: ≥95.0% (T)
• refractive index: n20/D 1.4415 (lit.)
• bp: 88 °C/1 mmHg (lit.)
• mp: −80 °C (lit.)
• density: 0.938 g/mL at 25 °C (lit.)
• functional group: 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)
• InChI key: AXFYFNCPONWUHW-UHFFFAOYSA-N

Description

Application

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).

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Codes: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• Flash Point (°F): 235.4 °F - closed cup
• Flash Point (°C): 113 °C - closed cup
• PPE (personal protective equipment): Eyeshields, Gloves, type ABEK (EN14387) respirator filter