Molecular Structure of 3-Methyl-4-oxopentanoic acid (CAS No.6628-79-1):

Molecular Formula: C₆H₁₀O₃
Molecular Weight: 130.1418
CAS No: 6628-79-1
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 43.37 Å²
Index of Refraction: 1.437
Molar Refractivity: 31.39 cm³
Molar Volume: 119.6 cm³
Surface Tension: 36.9 dyne/cm
Density: 1.087 g/cm³
Flash Point: 116.5 °C
Enthalpy of Vaporization: 52.69 kJ/mol
Boiling Point: 241.5 °C at 760 mmHg
Vapour Pressure: 0.0119 mmHg at 25°C
IUPAC Name: 3-Methyl-4-oxopentanoic acid
InChI: InChI=1/C₆H₁₀O₃/c1-4(5(2)7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKey: NFIWUVRBASXMGK-UHFFFAOYAF
Std. InChI: InChI=1S/C₆H₁₀O₃/c1-4(5(2)7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)
Std. InChIKey: NFIWUVRBASXMGK-UHFFFAOYSA-N

Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

   3-Methyl-4-oxopentanoic acid (CAS No.6628-79-1), its synonyms are 3-Methyl-4-oxopentanoic acid ; Pentanoic acid, 3-methyl-4-oxo- .