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CAS No.: | 75048-15-6 |
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Name: | 1-[1-(isobutoxy)ethoxy]-3-methylbutane |
Molecular Structure: | |
Formula: | C11H24O2 |
Molecular Weight: | 188.30706 |
Synonyms: | 1-Isobutoxy-1-(3-methylbutoxy)ethane;2-methylpropyl 3-methylbutyl acetal; |
EINECS: | 278-063-0 |
Density: | 0.84 g/cm3 |
Boiling Point: | 196.6 °C at 760 mmHg |
Flash Point: | 43.4 °C |
PSA: | 18.46000 |
LogP: | 3.06770 |
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The Butane,3-methyl-1-[1-(2-methylpropoxy)ethoxy]-, with the CAS registry number 75048-15-6, is also known as Acetaldehyde 2-methylpropyl 3-methylbutyl acetal and 1-(1-(Isobutoxy)ethoxy)-3-methylbutane. Its EINECS registry number is 278-063-0. This chemical's molecular formula is C11H24O2 and molecular weight is 188.3071. What's more, both its IUPAC name and systematic name are the same which is called 3-Methyl-1-[1-(2-methylpropoxy)ethoxy]butane.
Physical properties about Butane,3-methyl-1-[1-(2-methylpropoxy)ethoxy]- are: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 239.66; (6)ACD/BCF (pH 7.4): 239.66; (7)ACD/KOC (pH 5.5): 1757.63; (8)ACD/KOC (pH 7.4): 1757.63; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.417; (14)Molar Refractivity: 56.37 cm3; (15)Molar Volume: 223.9 cm3; (16)Polarizability: 22.34×10-24 cm3; (17)Surface Tension: 25 dyne/cm; (18)Density: 0.84 g/cm3; (19)Flash Point: 43.4 °C; (20)Enthalpy of Vaporization: 41.51 kJ/mol; (21)Boiling Point: 196.6 °C at 760 mmHg; (22)Vapour Pressure: 0.556 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(CCC(C)C)C(OCC(C)C)C
(2) InChI: InChI=1/C11H24O2/c1-9(2)6-7-12-11(5)13-8-10(3)4/h9-11H,6-8H2,1-5H3
(3) InChIKey: PFGKDSOUFDQBLI-UHFFFAOYAY