Cas no 53668-58-9 (Cyclobutanol, 1-(2-phenylethyl)-)
53668-58-9 structure
Product Name:Cyclobutanol, 1-(2-phenylethyl)-
CAS No:53668-58-9
MF:C12H16O
MW:176.254843711853
CID:1587637
Update Time:2024-09-13
Cyclobutanol, 1-(2-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
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- Cyclobutanol, 1-(2-phenylethyl)-
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- Inchi： 1S/C12H16O/c13-12(8-4-9-12)10-7-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2
- InChI Key： WTDAISLPVQUBCK-UHFFFAOYSA-N
- SMILES： C1(CCC2=CC=CC=C2)(O)CCC1
Computed Properties
- Exact Mass: 176.12018
Experimental Properties
- Density: 1.070±0.06 g/cm3(Predicted)
- Boiling Point: 280.4±9.0 °C(Predicted)
- PSA: 20.23
- pka: 15.17±0.20(Predicted)
Cyclobutanol, 1-(2-phenylethyl)- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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