Cas no 63992-49-4 (Phenol,5-methyl-2-nonyl-)
Phenol,5-methyl-2-nonyl- structure
Product Name:Phenol,5-methyl-2-nonyl-
Phenol,5-methyl-2-nonyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,5-methyl-2-nonyl-
- 5-methyl-2-nonylphenol
- 6-Nonyl-m-cresol
-
- Inchi： 1S/C16H26O/c1-3-4-5-6-7-8-9-10-15-12-11-14(2)13-16(15)17/h11-13,17H,3-10H2,1-2H3
- InChI Key： HYAMSKRJESVFDG-UHFFFAOYSA-N
- SMILES： OC1C=C(C)C=CC=1CCCCCCCCC
Computed Properties
- Exact Mass: 234.19848
- Monoisotopic Mass: 234.198365
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 178
- 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
- Topological Polar Surface Area: 20.2
- XLogP3: 6.5
Experimental Properties
- Density: 0.928
- Boiling Point: 339.8°Cat760mmHg
- Flash Point: 159.5°C
- Refractive Index: 1.505
- PSA: 20.23
Phenol,5-methyl-2-nonyl- Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
63992-49-4 (Phenol,5-methyl-2-nonyl-) Related Products
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