Cas no 19072-77-6 (Phenol,2,2'-methylenebis[4,6-bis(1,1-dimethylethyl)-3-methyl-)
19072-77-6 structure
Product Name:Phenol,2,2'-methylenebis[4,6-bis(1,1-dimethylethyl)-3-methyl-
CAS No:19072-77-6
MF:C31H48O2
MW:452.711629867554
CID:177771
PubChem ID:87924
Update Time:2025-04-19
Phenol,2,2'-methylenebis[4,6-bis(1,1-dimethylethyl)-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,2'-methylenebis[4,6-di-tert-butyl-m-cresol]
- 4,6-ditert-butyl-2-[(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
- 2,2'-methanediylbis(4,6-di-tert-butyl-3-methylphenol)
- 2,2'-Methylenebis(4,6-di-tert-butyl-m-cresol)
- Einecs 242-796-4
- 2,2'-Methylenebis[4,6-bis(1,1-dimethylethyl)-3-methylphenol]
- 2,2/'-methylenebis[4,6-di-tert-butyl-m-cresol]
- NS00026233
- SCHEMBL833037
- DTXSID50172569
- Q65653537
- 19072-77-6
- Phenol,2,2'-methylenebis[4,6-bis(1,1-dimethylethyl)-3-methyl-
-
- Inchi： 1S/C31H48O2/c1-18-20(26(32)24(30(9,10)11)16-22(18)28(3,4)5)15-21-19(2)23(29(6,7)8)17-25(27(21)33)31(12,13)14/h16-17,32-33H,15H2,1-14H3
- InChI Key： HJZQRZCQTNIROB-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=C(C)C=1CC1=C(C(=CC(=C1C)C(C)(C)C)C(C)(C)C)O)C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 452.36564
- Monoisotopic Mass: 452.365
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 33
- Rotatable Bond Count: 6
- Complexity: 582
- 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: 10.5
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 0.973
- Boiling Point: 493.8°Cat760mmHg
- Flash Point: 189.9°C
- Refractive Index: 1.525
- PSA: 40.46
Phenol,2,2'-methylenebis[4,6-bis(1,1-dimethylethyl)-3-methyl- Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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