Cas no 30239-74-8 (1-Butanone,2-ethyl-2-hydroxy-1-phenyl-)
30239-74-8 structure
Product Name:1-Butanone,2-ethyl-2-hydroxy-1-phenyl-
CAS No:30239-74-8
MF:C12H16O2
MW:192.254243850708
CID:317866
PubChem ID:344690
Update Time:2025-04-19
1-Butanone,2-ethyl-2-hydroxy-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone,2-ethyl-2-hydroxy-1-phenyl-
- 2-ethyl-2-hydroxy-1-phenylbutan-1-one
- SCHEMBL4556750
- NSC401750
- 2-hydroxy-2,2-diethylacetophenone
- DTXSID50322648
- NSC-401750
- AEFIRESPFCLUFO-UHFFFAOYSA-N
- 30239-74-8
-
- Inchi： 1S/C12H16O2/c1-3-12(14,4-2)11(13)10-8-6-5-7-9-10/h5-9,14H,3-4H2,1-2H3
- InChI Key： AEFIRESPFCLUFO-UHFFFAOYSA-N
- SMILES： OC(C(C1C=CC=CC=1)=O)(CC)CC
Computed Properties
- Exact Mass: 192.11508
- Monoisotopic Mass: 192.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 189
- 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: 2.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.041
- Boiling Point: 294.2°C at 760 mmHg
- Flash Point: 123.9°C
- Refractive Index: 1.522
- PSA: 37.3
- LogP: 2.42040
1-Butanone,2-ethyl-2-hydroxy-1-phenyl- Related Literature
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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