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CAS No.: | 4461-87-4 |
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Name: | 1,1-Dimethoxybutane |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H14O2 |
Molecular Weight: | 118.176 |
Synonyms: | Butyraldehyde,dimethyl acetal (6CI,7CI,8CI);1,1-Dimethoxybutane;Butanal dimethyl acetal;Butyraldehyde methyl acetal; |
Density: | 0.84 g/cm3 |
Boiling Point: | 111.9 °C at 760 mmHg |
Flash Point: | 10.1 °C |
PSA: | 18.46000 |
LogP: | 1.40540 |
The CAS registry number of Butane,1,1-dimethoxy- is 4461-87-4. The IUPAC name is 1,1-dimethoxybutane. In addition, the molecular formula is C6H14O2 and the molecular weight is 118.17. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about Butane, 1,1-dimethoxy- are: (1)ACD/LogP: 1.15; (2)ACD/LogD (pH 5.5): 1.14; (3)ACD/LogD (pH 7.4): 1.14; (4)ACD/BCF (pH 5.5): 4.37; (5)ACD/BCF (pH 7.4): 4.37; (6)ACD/KOC (pH 5.5): 99.95; (7)ACD/KOC (pH 7.4): 99.95; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 18.46 Å2; (11)Index of Refraction: 1.389; (12)Molar Refractivity: 33.29 cm3; (13)Molar Volume: 140.6 cm3; (14)Polarizability: 13.19 ×10-24cm3; (15)Surface Tension: 22.8 dyne/cm; (16)Density: 0.84 g/cm3; (17)Flash Point: 10.1 °C; (18)Enthalpy of Vaporization: 33.6 kJ/mol; (19)Boiling Point: 111.9 °C at 760 mmHg; (20)Vapour Pressure: 26.3 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(C)C(OC)CCC
(2) InChI: InChI=1/C6H14O2/c1-4-5-6(7-2)8-3/h6H,4-5H2,1-3H3
(3) InChIKey: DZKUKLGGGNLHNY-UHFFFAOYAA