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CAS No.: | 84642-59-1 |
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Name: | 2-methyl-4-(1-phenylethyl)-1,3-dioxolane |
Molecular Structure: | |
Formula: | C12H16O2 |
Molecular Weight: | 192.2542 |
Synonyms: | 2-methyl-4-(1-phenylethyl)-1,3-dioxolane;Einecs 283-436-6 |
EINECS: | 283-436-6 |
Density: | 1.032 g/cm3 |
Boiling Point: | 259.771 °C at 760 mmHg |
Flash Point: | 114.414 °C |
PSA: | 18.46000 |
LogP: | 2.55150 |
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The CAS registry number of 1,3-Dioxolane,2-methyl-4-(1-phenylethyl)- is 84642-59-1. Its EINECS registry number is 283-436-6. This chemical's molecular formula is C12H16O2 and molecular weight is 192.2542. What's more, both its IUPAC name and systematic name are the same which is 2-Methyl-4-(1-phenylethyl)-1,3-dioxolane.
Physical properties about 1,3-Dioxolane,2-methyl-4-(1-phenylethyl)- are: (1)ACD/LogP: 2.41; (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: 1.508; (8)Molar Refractivity: 55.556 cm3; (9)Molar Volume: 186.351 cm3; (10)Polarizability: 22.024×10-24 cm3; (11)Surface Tension: 36.552 dyne/cm; (12)Density: 1.032 g/cm3; (13)Flash Point: 114.414 °C; (14)Enthalpy of Vaporization: 47.735 kJ/mol; (15)Boiling Point: 259.771 °C at 760 mmHg; (16)Vapour Pressure: 0.021 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O2C(C(c1ccccc1)C)COC2C
(2) InChI: InChI=1/C12H16O2/c1-9(11-6-4-3-5-7-11)12-8-13-10(2)14-12/h3-7,9-10,12H,8H2,1-2H3
(3) InChIKey: UJOYYIGQEPKOBI-UHFFFAOYAM