Cas no 84604-88-6 (Phenol,4,4'-methylenebis[6-(1,1-dimethylethyl)-2,3-dimethyl-)
84604-88-6 structure
Product Name:Phenol,4,4'-methylenebis[6-(1,1-dimethylethyl)-2,3-dimethyl-
CAS No:84604-88-6
MF:C25H36O2
MW:368.552147865295
CID:727179
PubChem ID:44145130
Update Time:2025-04-19
Phenol,4,4'-methylenebis[6-(1,1-dimethylethyl)-2,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4,4'-methylenebis(6-tert-butyl-2,3-xylenol)
- 6-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)methyl]-2,3-dimethylphenol
- 84604-88-6
- EINECS 283-372-9
- DTXSID50233604
- NS00038582
- Phenol,4,4'-methylenebis[6-(1,1-dimethylethyl)-2,3-dimethyl-
-
- Inchi： 1S/C25H36O2/c1-14-16(3)22(26)20(24(5,6)7)12-18(14)11-19-13-21(25(8,9)10)23(27)17(4)15(19)2/h12-13,26-27H,11H2,1-10H3
- InChI Key： WWJFRZVPENPMEQ-UHFFFAOYSA-N
- SMILES： OC1=C(C)C(C)=C(C=C1C(C)(C)C)CC1=C(C)C(C)=C(C(=C1)C(C)(C)C)O
Computed Properties
- Exact Mass: 368.271530387g/mol
- Monoisotopic Mass: 368.271530387g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 442
- 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
- XLogP3: 7.9
- Topological Polar Surface Area: 40.5?2
Phenol,4,4'-methylenebis[6-(1,1-dimethylethyl)-2,3-dimethyl- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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