Cas no 25231-47-4 (Phenol,bis(1,1-dimethylpropyl)- (9CI))
25231-47-4 structure
Product Name:Phenol,bis(1,1-dimethylpropyl)- (9CI)
CAS No:25231-47-4
MF:C16H26O
MW:234.377045154572
CID:281030
PubChem ID:11817188
Update Time:2025-04-19
Phenol,bis(1,1-dimethylpropyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Phenol,bis(1,1-dimethylpropyl)- (9CI)
- 2,3-bis(2-methylbutan-2-yl)phenol
- 2,3-bis(1,1-dimethylpropyl)phenol
- Di-tert-pentylphenol
- di-t-amylphenol
- EINECS 246-742-0
- DTXSID70948081
- NS00050041
- SCHEMBL1159985
- 25231-47-4
-
- Inchi： 1S/C16H26O/c1-7-15(3,4)12-10-9-11-13(17)14(12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3
- InChI Key： BRIRGRNYHFFFHD-UHFFFAOYSA-N
- SMILES： OC1=CC=CC(=C1C(C)(C)CC)C(C)(C)CC
Computed Properties
- Exact Mass: 234.19848
- Monoisotopic Mass: 234.198365449g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 242
- 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: 6
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.921
- Boiling Point: 315.3°Cat760mmHg
- Flash Point: 147.1°C
- Refractive Index: 1.495
- PSA: 20.23
Phenol,bis(1,1-dimethylpropyl)- (9CI) Related Literature
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Sreenath Pappuru,Eswara Rao Chokkapu,Debashis Chakraborty,Venkatachalam Ramkumar Dalton Trans. 2013 42 16412
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Randhir P. Deo,Rolf U. Halden J. Environ. Monit. 2010 12 1840
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Uttam K. Das,Julia Bobak,Candace Fowler,Sarah E. Hann,Chad F. Petten,Louise N. Dawe,Andreas Decken,Francesca M. Kerton,Christopher M. Kozak Dalton Trans. 2010 39 5462
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Aurélie Cortéjade,Audrey Buleté,Laura Prouteau,Saber Chatti,Cécile Cren,Emmanuelle Vulliet Anal. Methods 2017 9 3549
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Rebecca K. Dean,Amy M. Reckling,Hua Chen,Louise N. Dawe,Celine M. Schneider,Christopher M. Kozak Dalton Trans. 2013 42 3504
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