Cas no 5342-87-0 (Benzeneethanol, a-methyl-a-phenyl-)
5342-87-0 structure
Product Name:Benzeneethanol, a-methyl-a-phenyl-
Benzeneethanol, a-methyl-a-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanol, a-methyl-a-phenyl-
- 1,2-diphenylpropan-2-ol
- alpha-Methyl-alpha-phenylbenzeneethanol
- Benzeneethanol, alpha-methyl-alpha-phenyl-
- 1,2-diphenyl-propan-2-ol
- AKOS009157468
- 1,2-Diphenyl-2-propanol
- Methylphenylbenzylcarbinol
- 1-methyl-1,2-diphenyl-ethanol
- NSC3671
- NSC 3671
- 1,2-Diphenyl-2-propanol #
- NSC-3671
- 5342-87-0
- DTXSID001031541
- SCHEMBL3583487
- Benzeneethanol, .alpha.-methyl-.alpha.-phenyl-
-
- Inchi： 1S/C15H16O/c1-15(16,14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11,16H,12H2,1H3
- InChI Key： QRKNKDBJZVZQNE-UHFFFAOYSA-N
- SMILES： OC(C)(C1C=CC=CC=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 212.12018
- Monoisotopic Mass: 212.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 202
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.2
- Topological Polar Surface Area: 20.2A^2
Experimental Properties
- Density: 1.0018 (rough estimate)
- Boiling Point: 290.55°C (estimate)
- Flash Point: 130.9°C
- Refractive Index: 1.5705 (estimate)
- PSA: 20.23
- LogP: 3.13680
Benzeneethanol, a-methyl-a-phenyl- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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