Cas no 7505-96-6 (1-Butanone,2-hydroxy-2-methyl-1-phenyl-)
7505-96-6 structure
Product Name:1-Butanone,2-hydroxy-2-methyl-1-phenyl-
CAS No:7505-96-6
MF:C11H14O2
MW:178.227663516998
CID:578935
PubChem ID:345029
Update Time:2025-04-19
1-Butanone,2-hydroxy-2-methyl-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone,2-hydroxy-2-methyl-1-phenyl-
- 2-hydroxy-2-methyl-1-phenylbutan-1-one
- 1-Phenyl-2-hydroxy-2-methyl-butan-1-on
- 2-hydroxy-2-methyl-1-phenyl-1-butanone
- 2-Hydroxy-2-methyl-1-phenyl-butan-1-on
- 2-hydroxy-2-methyl-1-phenyl-butan-1-one
- 2-hydroxy-2-methyl-1-phenylbutane-1-one
- AC1L81WD
- NSC402241
- SureCN195379
- SCHEMBL195379
- NSC-402241
- DTXSID00322890
- 2-hydroxy-3-methylisobutyrophenone
- 7505-96-6
-
- Inchi： 1S/C11H14O2/c1-3-11(2,13)10(12)9-7-5-4-6-8-9/h4-8,13H,3H2,1-2H3
- InChI Key： FYWIZDVKHSDFOY-UHFFFAOYSA-N
- SMILES： OC(C)(C(C1C=CC=CC=1)=O)CC
Computed Properties
- Exact Mass: 178.09942
- Monoisotopic Mass: 178.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 183
- 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
- XLogP3: 2.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.06
- Boiling Point: 277.6°Cat760mmHg
- Flash Point: 116.1°C
- Refractive Index: 1.527
- PSA: 37.3
- LogP: 2.03030
1-Butanone,2-hydroxy-2-methyl-1-phenyl- Related Literature
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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