ISOVALERIC ANHYDRIDE

The Butanoic acid,3-methyl-,1,1'-anhydride, with the CAS registry number of 1468-39-9, is also known as Butanoicacid,3-methyl-,anhydride. Its EINECS registry number is 215-994-3. The molecular formula of this chemical is C₁₀H₁₈O₃ and its molecular weight is 186.25. What's more, its IUPAC name is 3-Methylbutanoyl 3-methylbutanoate. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, you should ensure the work place is well-ventilated.

Physical properties about Butanoic acid,3-methyl-,1,1'-anhydride are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.34; (5)ACD/BCF (pH 5.5): 35.17; (6)ACD/BCF (pH 7.4): 35.17; (7)ACD/KOC (pH 5.5): 445.02; (8)ACD/KOC (pH 7.4): 445.02; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 50.09 cm³; (15)Molar Volume: 194.9 cm³; (16)Polarizability: 19.86×10^-24 cm³; (17)Surface Tension: 29.5 dyne/cm; (18)Density: 0.955 g/cm³; (19)Flash Point: 91.3 °C; (20)Enthalpy of Vaporization: 45.13 kJ/mol; (21)Boiling Point: 215 °C at 760 mmHg; (22)Vapour Pressure: 0.151 mmHg at 25 °C.

Uses of Butanoic acid,3-methyl-,1,1'-anhydride: it is used to produce other chemicals. For example, it is used to produce 3-Methyl-1-(5-methyl-furan-2-yl)-butan-1-one. The reaction needs reagent SnCl₄. The reaction time is 3 hours with reaction temperature of 100 °C. The yield is about 66 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is toxic in contact with skin and can causes burns. In addition, this chemical may cause cause damage to health at low levels. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(=O)CC(C)C)CC(C)C
(2) InChI: InChI=1/C10H18O3/c1-7(2)5-9(11)13-10(12)6-8(3)4/h7-8H,5-6H2,1-4H3
(3) InChIKey: FREZLSIGWNCSOQ-UHFFFAOYAG