Cas no 93891-78-2 (Phenol, sec-octyl-(6CI,7CI,9CI))
93891-78-2 structure
Product Name:Phenol, sec-octyl-(6CI,7CI,9CI)
Phenol, sec-octyl-(6CI,7CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Phenol, sec-octyl-(6CI,7CI,9CI)
- 2-octan-2-ylphenol
- sec-octylphenol
- DTXSID70917353
- 26401-75-2
- EINECS 299-461-0
- 18626-98-7
- EINECS 242-459-1
- EC 242-459-1
- o-sec-Octylphenol
- 93891-78-2
- EINECS 247-663-4
- SCHEMBL980558
- o-(1-Methylheptyl)phenol
- 2-(octan-2-yl)phenol
- NS00007531
- 2-s-octylphenol
-
- Inchi： 1S/C14H22O/c1-3-4-5-6-9-12(2)13-10-7-8-11-14(13)15/h7-8,10-12,15H,3-6,9H2,1-2H3
- InChI Key： YENLEHMSMBFUTB-UHFFFAOYSA-N
- SMILES： OC1C=CC=CC=1C(C)CCCCCC
Computed Properties
- Exact Mass: 206.167
- Monoisotopic Mass: 206.167
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 155
- 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: 5.6
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.935
- Boiling Point: 296.5°Cat760mmHg
- Flash Point: 149.8°C
- Refractive Index: 1.505
- LogP: 4.46610
Phenol, sec-octyl-(6CI,7CI,9CI) Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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