Cas no 2349-85-1 (1,4-Benzenediol,2,6-bis(1,1-dimethylpropyl)-)
2349-85-1 structure
Product Name:1,4-Benzenediol,2,6-bis(1,1-dimethylpropyl)-
CAS No:2349-85-1
MF:C16H26O2
MW:250.376445293427
CID:271278
Update Time:2024-01-27
1,4-Benzenediol,2,6-bis(1,1-dimethylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediol,2,6-bis(1,1-dimethylpropyl)-
- 2,6-DI-TERT-AMYLHYDROQUINONE
- 2,6-di-tert-pentyl-hydroquinone
- 1,4-Benzenediol, 2,6-bis(1,1-dimethylpropyl)-
-
- Inchi： 1S/C16H26O2/c1-7-15(3,4)12-9-11(17)10-13(14(12)18)16(5,6)8-2/h9-10,17-18H,7-8H2,1-6H3
- InChI Key： XZOXEBXBGPUAJO-UHFFFAOYSA-N
- SMILES： C1(O)=C(C(C)(C)CC)C=C(O)C=C1C(C)(C)CC
Computed Properties
- Exact Mass: 250.19338
- Monoisotopic Mass: 250.19328
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 244
- 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: 40.5
Experimental Properties
- Density: 0.99
- Boiling Point: 345.4°C at 760 mmHg
- Flash Point: 151.3°C
- Refractive Index: 1.513
- PSA: 40.46
1,4-Benzenediol,2,6-bis(1,1-dimethylpropyl)- Related Literature
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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
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
2349-85-1 (1,4-Benzenediol,2,6-bis(1,1-dimethylpropyl)-) Related Products
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