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55668-34-3

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Basic Information
CAS No.: 55668-34-3
Name: iso-Butyl aldehyde-1-phenyl-1,2-ethanediol acetal
Molecular Structure:
Molecular Structure of 55668-34-3 (iso-Butyl aldehyde-1-phenyl-1,2-ethanediol acetal)
Formula: C12H16O2
Molecular Weight: 192.25424
Synonyms: iso-Butyl aldehyde-1-phenyl-1,2-ethanediol acetal
Density: 1.027 g/cm3
Boiling Point: 271 °C at 760 mmHg
Flash Point: 122.6 °C
PSA: 18.46000
LogP: 2.75660
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Specification

This chemical has the IUPAC name 4-Phenyl-2-propan-2-yl-1,3-dioxolane, and it is also known as 2-Isopropyl-4-phenyl-1,3-dioxolane. Its molecular formula is C12H16O2 and its molecular weight is 192.25424. Additionally, the CAS registry number of this chemical is 55668-34-3.

Other characteristics of the 4-Phenyl-2-propan-2-yl-1,3-dioxolane can be summarised as followings: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.503; (8)Molar Refractivity: 55.35 cm3; (9)Molar Volume: 187 cm3; (10)Polarizability: 21.94×10-24cm3; (11)Surface Tension: 33.1 dyne/cm; (12)Density: 1.027 g/cm3; (13)Flash Point: 122.6 °C; (14)Enthalpy of Vaporization: 48.87 kJ/mol; (15)Boiling Point: 271 °C at 760 mmHg; (16)Vapour Pressure: 0.011 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O2C(c1ccccc1)COC2C(C)C
2.InChI: InChI=1/C12H16O2/c1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3
3.InChIKey: LYTZYXJGLNHQAS-UHFFFAOYAN