3-Methylbutanoic acid
[CAS# 92634-50-9]

Identification

• Name: 3-Methylbutanoic acid
• Synonyms: 3-Methylbutyric Acid; Inchi=1/C5h10o2/C1-4(2)3-5(6)7/H4h,3H2,1-2H3,(H,6,7; 3,4-Diisovaleryl Adrenaline
• Molecular Formula: C₅H₁₀O₂
• Molecular Weight: 102.13
• CAS Registry Number: 92634-50-9
• SMILES: C(C(C)C)C(O)=O
• InChI: 1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
• InChIKey: GWYFCOCPABKNJV-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Melting point: -33°C (Expl.)
• Boiling point: 175.3±8.0°C at 760 mmHg (Cal.)
• Flash point: 70°C (Expl.)
• Refractive index: 1.403 (Expl.)

Safety Data

• Safety Code: S26;S36/37/39;S45
• Risk Code: R34
• Hazard Symbol: C
• Transport Information: UN3265
• Safety Description: DANGER: POISON, irritates skin, eyes, lungs

References

• (1): Tamaz Guliashvili, Julius Tibbelin, Jiyeon Ryu and Henrik Ottosson. Unsuccessful attempts to add alcohols to transient 2-amino-2-siloxy-silenes - leading to a new benign route for base-free alcohol protection, Dalton Trans., 2010, 39, 9379.