Cas no 68155-50-0 (3,4-bisisopropylphenol)
3,4-bisisopropylphenol structure
Product Name:3,4-bisisopropylphenol
CAS No:68155-50-0
MF:C12H18O
MW:178.270723819733
CID:969274
PubChem ID:109652
Update Time:2025-04-19
3,4-bisisopropylphenol Chemical and Physical Properties
Names and Identifiers
-
- 3,4-bisisopropylphenol
- 3,4-di(propan-2-yl)phenol
- 3,4-Diisopropylphenol
- Phenol, 3,4-bis(1-methylethyl)-
- DTXSID8071190
- MB22559
- 3,4-BIS(PROPAN-2-YL)PHENOL
- SCHEMBL3957742
- EINECS 268-964-7
- NS00036453
- 68155-50-0
- VTJCIWXYZXSECW-UHFFFAOYSA-N
-
- Inchi： 1S/C12H18O/c1-8(2)11-6-5-10(13)7-12(11)9(3)4/h5-9,13H,1-4H3
- InChI Key： VTJCIWXYZXSECW-UHFFFAOYSA-N
- SMILES： OC1C=CC(=C(C=1)C(C)C)C(C)C
Computed Properties
- Exact Mass: 178.13584
- Monoisotopic Mass: 178.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 151
- 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: 3.8
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
3,4-bisisopropylphenol Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
68155-50-0 (3,4-bisisopropylphenol) Related Products
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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