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5660-60-6

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Basic Information
CAS No.: 5660-60-6
Name: Cinncloval
Article Data: 62
Molecular Structure:
Molecular Structure of 5660-60-6 (Cinncloval)
Formula: C11H12O2
Molecular Weight: 176.215
Synonyms: 1,3-Dioxolane,2-styryl- (6CI,7CI,8CI);2-(2-Phenylethenyl)-1,3-dioxolane;2-(2-Phenylvinyl)-1,3-dioxolane;2-(b-Phenylvinyl)-1,3-dioxolane;2-Styryl-1,3-dioxolane;Cinnamaldehyde cyclic ethylene acetal;Cinnamaldehyde ethylene glycol acetal;NSC 408703;
EINECS: 227-110-3
Density: 1.183g/cm3
Melting Point: 34 °C
Boiling Point: 266.9°Cat760mmHg
Flash Point: 119.6°C
PSA: 18.46000
LogP: 2.07270
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    Product Name: Cinncloval Synonyms: 2-styryl-1,3-dioxolane;1,3-Dioxolane, 2-(2-phenylethenyl)-;CINNCLOVAL;2-(2-Phenylethenyl)-1,3-dioxolane;3-Phenylpropenal ethylene acetal CAS: 5660-60-6 MF: C11H12O2 MW: 176.21 EINECS: 227-110-3 Appearanc

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    Molecular Formula C11H12O2 Molecular Weight 176.21 CAS Registry Number 5660-60-6 EINECS 227-110-3 FEMA 2287 NameCi…

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Specification

The Cinncloval, with the cas registry number 5660-60-6 and EINECS registry number 227-110-3, has the systematic name and IUPAC name of 2-[(E)-2-phenylethenyl]-1,3-dioxolane. The molecular formula of the chemical is C11H12O2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 10.93; (6)ACD/BCF (pH 7.4): 10.93; (7)ACD/KOC (pH 5.5): 192.82; (8)ACD/KOC (pH 7.4): 192.82; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 54.29 cm3; (15)Molar Volume: 148.9 cm3; (16)Polarizability: 21.52×10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.183 g/cm3; (19)Flash Point: 119.6 °C; (20)Enthalpy of Vaporization: 48.45 kJ/mol; (21)Boiling Point: 266.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0139 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O1C(OCC1)\C=C\c2ccccc2
(2)InChI: InChI=1/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2/b7-6+
(3)InChIKey: JQLASNFFJHGQTK-VOTSOKGWBE