Cas no 7495-04-7 (2-Butanone,3-methyl-1,1-diphenyl-)
7495-04-7 structure
Product Name:2-Butanone,3-methyl-1,1-diphenyl-
2-Butanone,3-methyl-1,1-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone,3-methyl-1,1-diphenyl-
- AKOS010014287; Isopropylbenzhydrylketon; NSC400487; SureCN888681; 3-Methyl-1,1-diphenyl-butan-2-on; AC1L7ZCK; 2-Methyl-4,4-diphenyl-butanon-(3); 3-methyl-1,1-diphenyl-butan-2-one; 2-methyl-4,4-diphenyl-3-butanone;
- SCHEMBL888681
- 7495-04-7
- 3-methyl-1,1-diphenylbutan-2-one
- NSC-400487
- DTXSID80322116
- NSC400487
-
- Inchi： 1S/C17H18O/c1-13(2)17(18)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3
- InChI Key： OECQHXLJYTVOLH-UHFFFAOYSA-N
- SMILES： O=C(C(C)C)C(C1C=CC=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 238.13584
- Monoisotopic Mass: 238.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.022
- Boiling Point: 333.8°Cat760mmHg
- Flash Point: 130.4°C
- Refractive Index: 1.548
- PSA: 17.07
- LogP: 4.04360
2-Butanone,3-methyl-1,1-diphenyl- Related Literature
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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
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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