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CAS No.: | 90114-17-3 |
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Name: | 2-(Acetyloxymethoxy)ethoxymethyl acetate |
Article Data: | 3 |
Cas Database | |
Molecular Structure: | |
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Formula: | C8H14O6 |
Molecular Weight: | 206.196 |
Synonyms: | Aceticacid, ethylenebis(oxymethylene) ester (6CI);NSC 57560;1,2-Ethanediylbis(oxymethylene) diacetate;Methanol,(ethylenedioxy)di-, diacetate (7CI); |
Density: | 1.144 g/cm3 |
Boiling Point: | 254.36 °C at 760 mmHg |
Flash Point: | 105.564 °C |
PSA: | 71.06000 |
LogP: | 0.06080 |
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The 2-(Acetyloxymethoxy)ethoxymethyl acetate, with the CAS registry number 90114-17-3, is also known as Aceticacid, ethylenebis(oxymethylene) ester. This chemical's molecular formula is C8H14O6 and molecular weight is 206.08. What's more, its systematic name is 1,2-Ethanediylbis(oxymethylene) diacetate.
Physical properties of 2-(Acetyloxymethoxy)ethoxymethyl acetate are: (1)ACD/LogP: 0.138; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 28.32; (8)ACD/KOC (pH 7.4): 28.32; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 71.06 Å2; (13)Index of Refraction: 1.426; (14)Molar Refractivity: 46.152 cm3; (15)Molar Volume: 180.279 cm3; (16)Polarizability: 18.296×10-24cm3; (17)Surface Tension: 35.24 dyne/cm; (18)Density: 1.144 g/cm3; (19)Flash Point: 105.564 °C; (20)Enthalpy of Vaporization: 49.179 kJ/mol; (21)Boiling Point: 254.36 °C at 760 mmHg; (22)Vapour Pressure: 0.017 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCOCCOCOC(=O)C)C
(2)Std. InChI: InChI=1S/C8H14O6/c1-7(9)13-5-11-3-4-12-6-14-8(2)10/h3-6H2,1-2H3
(3)Std. InChIKey: JCWJORVNWIULDI-UHFFFAOYSA-N