Cas no 68025-37-6 (bis(tert-butyl)dodecylphenol)
bis(tert-butyl)dodecylphenol structure
Product Name:bis(tert-butyl)dodecylphenol
bis(tert-butyl)dodecylphenol Chemical and Physical Properties
Names and Identifiers
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- bis(tert-butyl)dodecylphenol
- di-tert-Butyldodecylphenol
- EINECS 268-192-0
- Di-(tert-butyl)dodecylphenol
- 3-[3,8-Bis(2-methyl-2-propanyl)dodecyl]phenol
- 68025-37-6
- 3-(3,8-ditert-butyldodecyl)phenol
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- Inchi： 1S/C26H46O/c1-8-9-14-22(25(2,3)4)15-10-11-16-23(26(5,6)7)19-18-21-13-12-17-24(27)20-21/h12-13,17,20,22-23,27H,8-11,14-16,18-19H2,1-7H3
- InChI Key： KGXLFVVHLZMIDM-UHFFFAOYSA-N
- SMILES： OC1=CC=CC(=C1)CCC(CCCCC(CCCC)C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 374.354866
- Monoisotopic Mass: 374.354866
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 27
- Rotatable Bond Count: 13
- Complexity: 373
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2
- XLogP3: 10.7
Experimental Properties
- Density: 0.894
- Boiling Point: 464.4°C at 760 mmHg
- Flash Point: 254.1°C
- Refractive Index: 1.489
bis(tert-butyl)dodecylphenol Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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