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13442-90-5

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Basic Information
CAS No.: 13442-90-5
Name: 1-(1-ethoxyethoxy)-3-methylbutane
Molecular Structure:
Molecular Structure of 13442-90-5 (1-(1-ethoxyethoxy)-3-methylbutane)
Formula: C9H20O2
Molecular Weight: 160.257
Synonyms: Acetaldehyde,ethyl isopentyl acetal (7CI,8CI);Ethane, 1-ethoxy-1-(isopentyloxy)-;1-Ethoxy-1-(3-methylbutoxy)ethane;1-Ethoxy-1-isopentoxyethane;
EINECS: 236-581-4
Density: 0.84 g/cm3
Boiling Point: 168 °C at 760 mmHg
Flash Point: 34.6 °C
PSA: 18.46000
LogP: 2.43160
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Specification

The Butane,1-(1-ethoxyethoxy)-3-methyl-, with the CAS registry number 13442-90-5, is also known as Acetaldehyde ethyl 3-methylbutyl acetal. Its EINECS registry number is 236-581-4. This chemical's molecular formula is C9H20O2 and molecular weight is 160.2539. What's more, its systematic name is 1-(1-Ethoxyethoxy)-3-methylbutane.

Physical properties about Butane,1-(1-ethoxyethoxy)-3-methyl- are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 51.49; (6)ACD/BCF (pH 7.4): 51.49; (7)ACD/KOC (pH 5.5): 584.64; (8)ACD/KOC (pH 7.4): 584.64; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.409; (14)Molar Refractivity: 47.15 cm3; (15)Molar Volume: 190.5 cm3; (16)Polarizability: 18.69×10-24 cm3; (17)Surface Tension: 24.5 dyne/cm; (18)Density: 0.84 g/cm3; (19)Flash Point: 34.6 °C; (20)Enthalpy of Vaporization: 38.78 kJ/mol; (21)Boiling Point: 168 °C at 760 mmHg; (22)Vapour Pressure: 2.19 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)CCOC(C)OCC
(2) InChI: InChI=1/C9H20O2/c1-5-10-9(4)11-7-6-8(2)3/h8-9H,5-7H2,1-4H3
(3) InChIKey: RGNYZOOSNYMRQE-UHFFFAOYAG