3,3-Dimethylbutyraldehyde

This chemical is called Butanal, 3,3-dimethyl-, and its systematic name is 3,3-Dimethylbutyraldehyde. With the molecular formula of C₆H₁₂O, its molecular weight is 100.16. The CAS registry number of this chemical is 2987-16-8. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Butanal, 3,3-dimethyl- can be summarised as followings: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 9.74; (6)ACD/BCF (pH 7.4): 9.74; (7)ACD/KOC (pH 5.5): 177.46; (8)ACD/KOC (pH 7.4): 177.46; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.395; (14)Molar Refractivity: 29.99 cm³; (15)Molar Volume: 124.9 cm³; (16)Polarizability: 11.89×10^-24cm³; (17)Surface Tension: 23.4 dyne/cm; (18)Density: 0.801 g/cm³; (19)Flash Point: 10.6 °C; (20)Enthalpy of Vaporization: 34.94 kJ/mol; (21)Boiling Point: 110.7 °C at 760 mmHg; (22)Vapour Pressure: 23.4 mmHg at 25°C.

Production method of this chemical: The Butanal, 3,3-dimethyl- could be obtained by the reactant of 4,4-dimethyl-pent-1-ene. This reaction needs the reagent of ozon. The yield is 68 %.

Uses of this chemical: The Butanal, 3,3-dimethyl- could react with formaldehyde, and obtain the 2-tert-butyl-propenal. This reaction needs the reagent of aq. Me₂NH*HCl, and the solvent of NaHCO₃. The yield is 40 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. Don't breathe vapor. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. For it's flammable, keep it away from the sources of ignition.

You can still convert the following datas into molecular structure:
1.SMILES: O=CCC(C)(C)C
2.InChI: InChI=1/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3
3.InChIKey: LTNUSYNQZJZUSY-UHFFFAOYAU