1-Butanol,3-methoxy-3-methyl- (56539-66-3)

The 3-Methyl-3-methoxybutanol is an organic compound with the formula C₆H₁₄O₂. The IUPAC name of this chemical is 3-methoxy-3-methylbutan-1-ol. With the CAS registry number 56539-66-3, it is also named as 1-butanol, 3-methoxy-3-methyl-. The product's categories are Alcohols; C2 to C6; Oxygen Compounds. Besides, it is a clear colourless liquid, which should be stored in a cool and dry place.

Physical properties about 3-Methyl-3-methoxybutanol are: (1)ACD/LogP: 0.33; (2)ACD/LogD (pH 5.5): 0.33; (3)ACD/LogD (pH 7.4): 0.33; (4)ACD/BCF (pH 5.5): 1.04; (5)ACD/BCF (pH 7.4): 1.04; (6)ACD/KOC (pH 5.5): 35.85; (7)ACD/KOC (pH 7.4): 35.85; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 18.46Ų; (12)Index of Refraction: 1.417; (13)Molar Refractivity: 33.09 cm³; (14)Molar Volume: 131.4 cm³; (15)Polarizability: 13.11×10^-24cm³; (16)Surface Tension: 27.9 dyne/cm; (17)Density: 0.898 g/cm³; (18)Flash Point: 51.6 °C; (19)Enthalpy of Vaporization: 46.66 kJ/mol; (20)Boiling Point: 164.2 °C at 760 mmHg; (21)Vapour Pressure: 0.675 mmHg at 25°C.

Preparation: this chemical can be prepared by 4,4-dimethyl-[1,3]dioxane. This reaction will need reagent diisobutylaluminum hydride and solvent benzene. The reaction time is 2 hours by heating. The yield is about 90%.

Uses of 3-Methyl-3-methoxybutanol: it can be used to produce 3-methoxy-3-methylbutanal. This reaction is a kind of Swern oxidation. The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes. When you are using it, do not breathe gas/fumes/vapour/spray, and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCC(OC)(C)C
(2)InChI: InChI=1/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3
(3)InChIKey: MFKRHJVUCZRDTF-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3 CopyCopied
(5)Std. InChIKey: MFKRHJVUCZRDTF-UHFFFAOYSA-N