ISOBUTYRALDEHYDE DIETHYL ACETAL

The Propane,1,1-diethoxy-2-methyl-, with the CAS registry number 1741-41-9, is also known as 2-Methylpropanal diethyl acetal. Its EINECS number is 217-107-5. This chemical's molecular formula is C₈H₁₈O₂ and molecular weight is 146.23. What's more, its IUPAC name is 1,1-diethoxy-2-methylpropane.

Physical properties of Propane,1,1-diethoxy-2-methyl- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.32; (6)ACD/BCF (pH 7.4): 20.32; (7)ACD/KOC (pH 5.5): 300.49; (8)ACD/KOC (pH 7.4): 300.49; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.403; (14)Molar Refractivity: 42.51 cm³; (15)Molar Volume: 174 cm³; (16)Polarizability: 16.85×10^-24cm³; (17)Surface Tension: 23.8 dyne/cm; (18)Density: 0.84 g/cm³; (19)Flash Point: 22.9 °C; (20)Enthalpy of Vaporization: 35.98 kJ/mol; (21)Boiling Point: 138 °C at 760 mmHg; (22)Vapour Pressure: 8.53 mmHg at 25°C.

Preparation: this chemical can be prepared by isobutyraldehyde and ethanol at the ambient temperature. This reaction will need reagents p-toluenesulfonic acid, ethyl orthoformiate with the reaction time of 3 days. The yield is about 47%.

Uses of Propane,1,1-diethoxy-2-methyl-: it can be used to produce 1-ethoxy-2-methyl-propene. It will need reagent 85 percent H₃PO₄. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
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. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CC)C(OCC)C(C)C
(2)Std. InChI: InChI=1S/C8H18O2/c1-5-9-8(7(3)4)10-6-2/h7-8H,5-6H2,1-4H3
(3)Std. InChIKey: KZDFOVZPOBSHDH-UHFFFAOYSA-N