Cas no 28675-72-1 (Phenol,4-(1,1,3,3-tetramethylbutyl)-, barium salt (2:1))
28675-72-1 structure
Product Name:Phenol,4-(1,1,3,3-tetramethylbutyl)-, barium salt (2:1)
CAS No:28675-72-1
MF:C28H42BaO2
MW:547.958884716034
CID:276445
PubChem ID:14895245
Update Time:2025-04-19
Phenol,4-(1,1,3,3-tetramethylbutyl)-, barium salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Phenol,4-(1,1,3,3-tetramethylbutyl)-, barium salt (2:1)
- barium(2+),4-(2,4,4-trimethylpentan-2-yl)phenolate
- 4-(1,1,3,3-tetramethylbutyl)phenolate
- Barium bis(p-(1,1,3,3-tetramethylbutyl)phenolate)
- barium(+2) cation
- NS00083157
- EINECS 249-143-2
- DTXSID40951340
- Barium bis[4-(2,4,4-trimethylpentan-2-yl)phenolate]
- 28675-72-1
-
- Inchi： 1S/2C14H22O.Ba/c2*1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;/h2*6-9,15H,10H2,1-5H3;/q;;+2/p-2
- InChI Key： BJCPMGPOFKXSML-UHFFFAOYSA-L
- SMILES： [Ba+2].[O-]C1C=CC(=CC=1)C(C)(C)CC(C)(C)C.[O-]C1C=CC(=CC=1)C(C)(C)CC(C)(C)C
Computed Properties
- Exact Mass: 540.22466
- Monoisotopic Mass: 548.223728g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 31
- Rotatable Bond Count: 6
- Complexity: 192
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.1?2
Experimental Properties
- PSA: 46.12
Phenol,4-(1,1,3,3-tetramethylbutyl)-, barium salt (2:1) Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
28675-72-1 (Phenol,4-(1,1,3,3-tetramethylbutyl)-, barium salt (2:1)) Related Products
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- 140-66-9(4-Tert-Octylphenol)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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