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Name |
2,2-Dimethoxybutane |
EINECS | N/A |
CAS No. | 3453-99-4 | Density | 0.841 g/cm3 |
PSA | 18.46000 | LogP | 1.40540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H14O2 | Boiling Point | 99.8 °C at 760 mmHg |
Molecular Weight | 118.176 | Flash Point | 0.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Butanone,dimethyl acetal (6CI,7CI,8CI);2,2-Dimethoxybutane; |
Article Data | 20 |
This chemical is called 2,2-Dimethoxybutane, and it can also be named as butane, 2,2-dimethoxy-. With the molecular formula of C6H14O2, its molecular weight is 118.17. The CAS registry number of this chemical is 3453-99-4.
Other characteristics of the 2,2-Dimethoxybutane can be summarised as followings: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 3.18; (6)ACD/BCF (pH 7.4): 3.18; (7)ACD/KOC (pH 5.5): 79.59; (8)ACD/KOC (pH 7.4): 79.59; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.39; (14)Molar Refractivity: 33.3 cm3; (15)Molar Volume: 140.3 cm3; (16)Polarizability: 13.2×10-24cm3; (17)Surface Tension: 22.3 dyne/cm; (18)Density: 0.841 g/cm3; (19)Flash Point: 0.8 °C; (20)Enthalpy of Vaporization: 32.51 kJ/mol; (21)Boiling Point: 99.8 °C at 760 mmHg; (22)Vapour Pressure: 43.3 mmHg at 25°C.
Production method of this chemical: The 2,2-Dimethoxybutane could be obtained by the reactants of butan-2-one and methanol. This reaction needs the reagent of formylmorpholine-dimethylsulfate-adduct. The yield is 64.4 %. In addition, this reaction should be taken for 24 hours at the ambient temperature.
Uses of this chemical: The 2,2-Dimethoxybutane could react with trichloroacetyl chloride, and obtain the 1,1,1-trichloro-4-methoxy-hex-3-en-2-one. This reaction needs the reagent of pyridine, and the solvent of CH2Cl2. The yield is 96 %. In addition, this reaction should be taken for 12 hours at the temperature of 25-30 °C.
You can still convert the following datas into molecular structure:
1.SMILES: O(C)C(OC)(C)CC
2.InChI: InChI=1/C6H14O2/c1-5-6(2,7-3)8-4/h5H2,1-4H3
3.InChIKey: OXQHJIGWZNIQDS-UHFFFAOYAN