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6986-51-2

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Basic Information
CAS No.: 6986-51-2
Name: 1-(1-ethoxyethoxy)-2-methylpropane
Article Data: 3
Molecular Structure:
Molecular Structure of 6986-51-2 (1-(1-ethoxyethoxy)-2-methylpropane)
Formula: C8H18O2
Molecular Weight: 146.23
Synonyms: Acetaldehyde, ethyl 2-methylpropyl acetal;Ethane, 1-ethoxy-1-(2-methylpropyloxy);1-Ethoxy-1-(2-methylpropoxy)ethane;
EINECS: 230-251-3
Density: 0.84 g/cm3
Boiling Point: 147 °C at 760 mmHg
Flash Point: 25.1 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 18.46000
LogP: 2.04150
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Specification

The Propane,1-(1-ethoxyethoxy)-2-methyl-, with the CAS registry number 6986-51-2, is also known as Acetaldehyde, ethyl 2-methylpropyl acetal. Its EINECS number is 230-251-3. This chemical's molecular formula is C8H18O2 and molecular weight is 146.23. What's more, its systematic name is 1-(1-ethoxyethoxy)-2-methylpropane.

Physical properties of Propane,1-(1-ethoxyethoxy)-2-methyl- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.32; (6)ACD/BCF (pH 7.4): 20.32; (7)ACD/KOC (pH 5.5): 300.49; (8)ACD/KOC (pH 7.4): 300.49; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.403; (14)Molar Refractivity: 42.51 cm3; (15)Molar Volume: 174 cm3; (16)Polarizability: 16.85×10-24cm3; (17)Surface Tension: 23.8 dyne/cm; (18)Density: 0.84 g/cm3; (19)Flash Point: 25.1 °C; (20)Enthalpy of Vaporization: 36.81 kJ/mol; (21)Boiling Point: 147 °C at 760 mmHg; (22)Vapour Pressure: 5.72 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CC)C(OCC(C)C)C
(2)Std. InChI: InChI=1S/C8H18O2/c1-5-9-8(4)10-6-7(2)3/h7-8H,5-6H2,1-4H3
(3)Std. InChIKey: YEKSEJHZJGHKBN-UHFFFAOYSA-N