Cas no 4396-98-9 (2-phenylhexan-2-ol)
2-phenylhexan-2-ol structure
Product Name:2-phenylhexan-2-ol
2-phenylhexan-2-ol Chemical and Physical Properties
Names and Identifiers
-
- 2-phenylhexan-2-ol
- (+/-)-2-phenylhexan-2-ol
- (+-)-2-Hydroxy-2-phenyl-hexan
- 2-Hexanol, 2-phenyl-
- 2-phenyl-2-hexanol
- 2-phenyl-hexan-2-ol
- AC1L5GJ4
- AC1Q76Z1
- AR-1E2034
- CTK4I7903
- NSC22000
- SureCN845807
- Benzenemethanol, .alpha.-butyl-.alpha.-methyl-
- DTXSID90281568
- butylphenylethanol
- 4396-98-9
- NSC-22000
- DS-013562
- AKOS014480805
- 2-Phenyl-2-hexanol #
- SCHEMBL845807
- HANZCFMKZJDWMT-UHFFFAOYSA-N
-
- Inchi： 1S/C12H18O/c1-3-4-10-12(2,13)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3
- InChI Key： HANZCFMKZJDWMT-UHFFFAOYSA-N
- SMILES： OC(C)(C1C=CC=CC=1)CCCC
Computed Properties
- Exact Mass: 178.13584
- Monoisotopic Mass: 178.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 138
- 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: 3.1
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
2-phenylhexan-2-ol Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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