3-METHYL-2-OXOVALERIC ACID

The Pentanoic acid, 3-methyl-2-oxo-, with the CAS registry number 1460-34-0, is also known as 2-Oxo-3-methylpentanoic acid. It belongs to the product category of Pharmacetical. Its EINECS registry number is 215-955-0. This chemical's molecular formula is C₆H₁₀O₃ and molecular weight is 130.14. Its systematic name is called 3-methyl-2-oxopentanoic acid.

Physical properties of Pentanoic acid,3-methyl-2-oxo-: (1)ACD/LogP: 0.17; (2)ACD/LogD (pH 5.5): -2.63; (3)ACD/LogD (pH 7.4): -3.54; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.437; (12)Molar Refractivity: 31.39 cm³; (13)Molar Volume: 119.6 cm³; (14)Surface Tension: 36.9 dyne/cm; (15)Density: 1.087 g/cm³; (16)Flash Point: 83.3 °C; (17)Enthalpy of Vaporization: 47.04 kJ/mol; (18)Boiling Point: 190.5 °C at 760 mmHg; (19)Vapour Pressure: 0.239 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-amino-3-methyl-pentanoic acid. This reaction will need reagent Fremy's salt and solvent H₂O. The reaction time is 60 hours. The yield is about 40%.

Uses of Pentanoic acid,3-methyl-2-oxo-: it can be used to produce 2-benzyloxycarbonylamino-3-methyl-pent-2-enoic acid by heating. This reaction will need reagent p-toluenesulfonic acid and solvent benzene with reaction time of 6 hours. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(=O)O)C(C)CC
(2)InChI: InChI=1/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
(3)InChIKey: JVQYSWDUAOAHFM-UHFFFAOYAW