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16397-78-7

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Basic Information
CAS No.: 16397-78-7
Name: 2-ethylhexyl cinnamate
Article Data: 6
Molecular Structure:
Molecular Structure of 16397-78-7 (2-ethylhexyl cinnamate)
Formula: C17H24O2
Molecular Weight: 260.376
Synonyms: Cinnamicacid, 2-ethylhexyl ester (8CI);2-Ethylhexyl 3-phenyl-2-propenoate;2-Ethylhexyl cinnamate;2-Ethylhexyl 3-phenylprop-2-enoate;
EINECS: 240-448-6
Density: 0.977 g/cm3
Boiling Point: 360.3 °C at 760 mmHg
Flash Point: 188.9 °C
PSA: 26.30000
LogP: 4.45940
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Specification

The 2-Propenoic acid,3-phenyl-, 2-ethylhexyl ester, with the CAS registry number 16397-78-7, is also known as 2-Ethylhexyl cinnamate. Its EINECS number is 240-448-6. This chemical's molecular formula is C17H24O2 and molecular weight is 260.37. What's more, its systematic name is 2-Ethylhexyl 3-phenylprop-2-enoate.

Physical properties of 2-Propenoic acid,3-phenyl-, 2-ethylhexyl ester are: (1)ACD/LogP: 5.71; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.71; (4)ACD/LogD (pH 7.4): 5.71; (5)ACD/BCF (pH 5.5): 12918.02; (6)ACD/BCF (pH 7.4): 12918.02; (7)ACD/KOC (pH 5.5): 30505.81; (8)ACD/KOC (pH 7.4): 30505.81; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 80.93 cm3; (15)Molar Volume: 266.3 cm3; (16)Polarizability: 32.08×10-24 cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 0.977 g/cm3; (19)Flash Point: 188.9 °C; (20)Enthalpy of Vaporization: 60.6 kJ/mol; (21)Boiling Point: 360.3 °C at 760 mmHg; (22)Vapour Pressure: 2.25E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(CC)CCCC)C=Cc1ccccc1
(2)InChI: InChI=1S/C17H24O2/c1-3-5-9-15(4-2)14-19-17(18)13-12-16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3
(3)InChIKey: OUCGLXKNITVPJS-UHFFFAOYSA-N