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7779-17-1

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Basic Information
CAS No.: 7779-17-1
Name: CYCLOHEXYL CINNAMATE
Article Data: 34
Molecular Structure:
Molecular Structure of 7779-17-1 (CYCLOHEXYL CINNAMATE)
Formula: C15H18O2
Molecular Weight: 230.307
Synonyms: Cinnamicacid, cyclohexyl ester (6CI,8CI);Cyclohexyl cinnamate;NSC 71968;Cinnamic acid, cyclohexyl ester;Cyclohexyl 3-phenyl-2-propenoate;Cyclohexyl 3-phenylpropenoate;Cyclohexyl 3-phenylprop-2-enoate;
EINECS: 231-921-8
Density: 1.06 g/cm3
Melting Point: 50-53oC
Boiling Point: 345.5 °C at 760 mmHg
Flash Point: 143.7 °C
PSA: 26.30000
LogP: 3.57570
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Specification

The 2-Propenoic acid,3-phenyl-, cyclohexyl ester, with the CAS registry number 7779-17-1, is also known as Cyclohexyl cinnamate. Its EINECS number is 231-921-8. It belongs to the product category of Ester Flavor. This chemical's molecular formula is C15H18O2 and molecular weight is 230.3. What's more, its systematic name is Cyclohexyl 3-phenylprop-2-enoate.

Physical properties of 2-Propenoic acid,3-phenyl-, cyclohexyl ester are: (1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.542; (8)Molar Refractivity: 68.12 cm3; (9)Molar Volume: 216.2 cm3; (10)Polarizability: 27×10-24 cm3; (11)Surface Tension: 40.5 dyne/cm; (12)Density: 1.06 g/cm3; (13)Flash Point: 143.7 °C; (14)Enthalpy of Vaporization: 58.96 kJ/mol; (15)Boiling Point: 345.5 °C at 760 mmHg; (16)Vapour Pressure: 6.13E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1CCCCC1)C=Cc2ccccc2
(2)InChI: InChI=1S/C15H18O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2
(3)InChIKey: GCFAUZGWPDYAJN-UHFFFAOYSA-N