Cas no 217324-58-8 (2-Propenoic acid, 3-phenyl-, 2-ethylhexyl ester, (2E)-)
217324-58-8 structure
Product Name:2-Propenoic acid, 3-phenyl-, 2-ethylhexyl ester, (2E)-
CAS No:217324-58-8
MF:C17H24O2
MW:260.371265411377
CID:1403797
PubChem ID:6537952
Update Time:2025-04-20
2-Propenoic acid, 3-phenyl-, 2-ethylhexyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-phenyl-, 2-ethylhexyl ester, (2E)-
- 217324-58-8
- 2-Ethylhexyl cinnamate
- OUCGLXKNITVPJS-OUKQBFOZSA-N
- NS00052781
- 5B5YXQ8MSS
- Ethylhexyl cinnamate [WHO-DD]
- 2-ethylhexylcinnamate
- 2-ethylhexyl (E)-3-phenylprop-2-enoate
- ethylhexyl cinnamate
- E-2-ethylhexyl cinnamate
- SCHEMBL483426
- 16397-78-7
- UNII-5B5YXQ8MSS
-
- 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/b13-12+
- InChI Key： OUCGLXKNITVPJS-OUKQBFOZSA-N
- SMILES： O(C(/C=C/C1C=CC=CC=1)=O)CC(CC)CCCC
Computed Properties
- Exact Mass: 260.17772
- Monoisotopic Mass: 260.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 264
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Propenoic acid, 3-phenyl-, 2-ethylhexyl ester, (2E)- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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