Cas no 5857-00-1 (2,4,6-tributylphenol)
2,4,6-tributylphenol structure
Product Name:2,4,6-tributylphenol
2,4,6-tributylphenol Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-tributylphenol
- 2,4,6-tri-butylphenol
- 5857-00-1
- SCHEMBL201692
- KHWQFISNNNRGLV-UHFFFAOYSA-N
- EINECS 227-480-6
- DTXSID50974126
- UNII-1UER63R69F
- Phenol, tributyl-
- Q27252909
- Phenol, 2,4,6-tributyl-
- NS00046476
- 1UER63R69F
-
- Inchi： 1S/C18H30O/c1-4-7-10-15-13-16(11-8-5-2)18(19)17(14-15)12-9-6-3/h13-14,19H,4-12H2,1-3H3
- InChI Key： KHWQFISNNNRGLV-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1CCCC)CCCC)CCCC
Computed Properties
- Exact Mass: 262.2298
- Monoisotopic Mass: 262.23
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 196
- 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: 20.2A^2
- XLogP3: 7.2
Experimental Properties
- Density: 0.919
- Boiling Point: 363.5°C at 760 mmHg
- Flash Point: 163.9°C
- Refractive Index: 1.504
- PSA: 20.23
2,4,6-tributylphenol Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
5857-00-1 (2,4,6-tributylphenol) Related Products
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- 13331-19-6(2-Propylbenzene-1,3-diol)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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