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| CAS No.: | 122-71-4 |
|---|---|
| Name: | PHENYLETHYL ACETAL |
| Article Data: | 7 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C18H22 O2 |
| Molecular Weight: | 270.371 |
| Synonyms: | Acetaldehyde,diphenethyl acetal (6CI,7CI,8CI);Ethane, 1,1-bis(phenethyloxy)- (6CI); |
| EINECS: | 204-568-2 |
| Density: | 1.031 g/cm3 |
| Boiling Point: | 355.2 °C at 760 mmHg |
| Flash Point: | 125 °C |
| Solubility: | Solubility in ethanol 95%: Soluble in all proportions |
| Appearance: | A clear, almost colourless liquid |
| PSA: | 18.46000 |
| LogP: | 3.85100 |
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Specification
The Acetaldehyde diphenethyl acetal, with the CAS registry number 122-71-4.It belongs to the product Organic matters.This chemical's molecular formula is C18H22O2 and molecular weight is 270.36. What's more,Its systematic name is 1,1'-[1,1-Ethanediylbis(oxy-2,1-ethanediyl)]dibenzene.
Physical properties about Acetaldehyde diphenethyl acetal are: (1)ACD/LogP: 4.038; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.04; (4)ACD/LogD (pH 7.4): 4.04; (5)ACD/BCF (pH 5.5): 690.65; (6)ACD/BCF (pH 7.4): 690.65; (7)ACD/KOC (pH 5.5): 3749.24; (8)ACD/KOC (pH 7.4): 3749.24; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 82.27 cm3; (14)Molar Volume: 262.081 cm3; (15)Polarizability: 32.614 10-24cm3; (16)Surface Tension: 38.2750015258789 dyne/cm; (17)Density: 1.032 g/cm3; (18)Flash Point: 124.971 °C; (19)Enthalpy of Vaporization: 57.67 kJ/mol; (20)Boiling Point: 355.249 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C;
You can still convert the following datas into molecular structure:
(1)SMILES:O(CCc1ccccc1)C(OCCc2ccccc2)C;
(2)Std. InChI:InChI=1S/C18H22O2/c1-16(19-14-12-17-8-4-2-5-9-17)20-15-13-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3;
(3)Std. InChIKey:JBMMTNRBVCXMHJ-UHFFFAOYSA-N.