Cas no 71868-00-3 (1-Hexanone,2-ethyl-2-hydroxy-1-phenyl-)
71868-00-3 structure
Product Name:1-Hexanone,2-ethyl-2-hydroxy-1-phenyl-
CAS No:71868-00-3
MF:C14H20O2
MW:220.307404518127
CID:569021
PubChem ID:3018279
Update Time:2025-04-19
1-Hexanone,2-ethyl-2-hydroxy-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexanone,2-ethyl-2-hydroxy-1-phenyl-
- 2-ethyl-2-hydroxy-1-phenylhexan-1-one
- 2-ethyl-2-hydroxyhexanophenone
- DTXSID40992576
- NS00125590
- EINECS 276-102-6
- SCHEMBL6692640
- 71868-00-3
-
- Inchi： 1S/C14H20O2/c1-3-5-11-14(16,4-2)13(15)12-9-7-6-8-10-12/h6-10,16H,3-5,11H2,1-2H3
- InChI Key： UBXPMARKFVFATG-UHFFFAOYSA-N
- SMILES： OC(C(C1C=CC=CC=1)=O)(CC)CCCC
Computed Properties
- Exact Mass: 220.1464
- Monoisotopic Mass: 220.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 219
- 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: 3.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.012
- Boiling Point: 326.3°C at 760 mmHg
- Flash Point: 138.6°C
- Refractive Index: 1.514
- PSA: 37.3
1-Hexanone,2-ethyl-2-hydroxy-1-phenyl- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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