Description

β-Hydroxyisovaleric acid (CAS 625-08-1) is a high-purity branched-chain hydroxy acid with the molecular formula C₅H₁₀O₃. Also known as 3-hydroxy-3-methylbutanoic acid, this compound is a key intermediate in metabolic pathways, particularly in leucine catabolism. Our product is synthesized under strict quality control to ensure ≥95% purity (HPLC/GC), ideal for research in biochemistry, metabolomics, and pharmaceutical development. The white crystalline powder is soluble in water and polar organic solvents, with stability under recommended storage conditions (2-8°C in inert atmosphere). Each batch undergoes rigorous analytical validation (NMR, MS, FTIR) to guarantee structural integrity. Available in research quantities (100mg to 10kg) with optional certificate of analysis. Suitable for use as a reference standard, metabolic tracer, or precursor in specialty chemical synthesis.

Properties

• CAS Number: 625-08-1
• Complexity: 95.8
• IUPAC Name: 3-hydroxy-3-methyl-butanoic acid
• InChI: InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)
• InChI Key: AXFYFNCPONWUHW-UHFFFAOYSA-N
• LogP: 6.300
• Exact Mass: 118.062994177
• Molecular Formula: C5H10O3
• Molecular Weight: 118.13
• SMILES: CC(C)(CC(=O)O)O
• Topological: 57.5
• Monoisotopic Mass: 118.062994177
• Physical Description: Solid
• Melting Point: 65 – 67 °C
• Synonyms: beta-Hydroxyisovaleric acid, 625-08-1, 3-Hydroxy-3-methylbutanoic acid, 3-Hydroxyisovaleric acid, 3-Hydroxy-3-methylbutyric acid, 3-OH-isovaleric acid, B-hydroxyisovaleric acid, Butanoic acid, 3-hydroxy-3-methyl-, Hmb-d6, 3-hydroxy-isovaleric acid, 3-hydroxy-3-methyl-butanoic acid, beta-Hydroxy-methylbutyrate, 123743-99-7, MFCD00059081, 3-hydroxy-3-methyl butyric acid, 3-hydroxy-3-methyl-Butyric acid, beta-Hydroxyisovaleric Acid-d8, beta-hydroxy-beta-methylbutyric acid, Butyric acid, 3-hydroxy-3-methyl-, .beta.-Hydroxyisovaleric acid, 3F752311CD, |A-Hydroxyisovaleric acid, Juven, UNII-3F752311CD, B-hydroxyisovalerate, Beta-Hydroxy beta-methylbutyric acid, JUVEN [VANDF], B-hydroxy-b-methylbutyrate, beta -Hydroxyisovaleric acid, SCHEMBL95498, SCHEMBL95499, 3-hydroxy-3-methyl-Butanoate, Beta-(Hydroxyisovaleric Acid), B-hydroxy-b-methylbutyric acid, .beta.-Hydroxy-isovaleric acid, 3-methyl-3-hydroxybutyric acid, SCHEMBL1045797, ?-HYDROXYISOVALERIC ACID, CHEMBL4303793, CHEBI:37084, DTXSID20211535, 3-Hydroxy-3-Methyl butanoic Acid, BBL100555, LMFA01050396, s6124, SBB053604, STL554349, AKOS005254540, DB15344, DS-9861, FH145539, SY032937, HYDROXY-BETA-METHYLBUTYRATE [VANDF], HY-113409, beta-Hydroxyisovaleric acid, >=95.0% (T), CS-0059394, H0701, NS00014714, A10925, C20827, EN300-117931, H120906, Q223081, Z982131798

Application

β-Hydroxyisovaleric acid serves as a biomarker for mitochondrial disorders in clinical research. It finds application in studying inborn errors of metabolism, particularly maple syrup urine disease (MSUD) research. The compound is utilized as a precursor for synthesizing bioactive molecules in pharmaceutical development. Researchers employ it in metabolic flux analysis to investigate leucine degradation pathways.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.9%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.