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Name |
2-Propenoic acid,3-phenyl-, 2-ethylhexyl ester |
EINECS | 240-448-6 |
CAS No. | 16397-78-7 | Density | 0.977 g/cm3 |
PSA | 26.30000 | LogP | 4.45940 |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H24O2 | Boiling Point | 360.3 °C at 760 mmHg |
Molecular Weight | 260.376 | Flash Point | 188.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Cinnamicacid, 2-ethylhexyl ester (8CI);2-Ethylhexyl 3-phenyl-2-propenoate;2-Ethylhexyl cinnamate;2-Ethylhexyl 3-phenylprop-2-enoate; |
Article Data | 6 |
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