Cas no 51241-46-4 (Benzene, 1-methyl-4-(1-methylpropoxy)-)
51241-46-4 structure
Product Name:Benzene, 1-methyl-4-(1-methylpropoxy)-
CAS No:51241-46-4
MF:C11H16O
MW:164.244143486023
CID:362749
PubChem ID:15584173
Update Time:2025-04-19
Benzene, 1-methyl-4-(1-methylpropoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-methyl-4-(1-methylpropoxy)-
- 1-butan-2-yloxy-4-methylbenzene
- 51241-46-4
- AKOS014094508
- 1-[(Butan-2-yl)oxy]-4-methylbenzene
- SCHEMBL8263616
- DTXSID70574925
-
- Inchi: 1S/C11H16O/c1-4-10(3)12-11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3
- InChI Key: VALIDHVHMWCAQG-UHFFFAOYSA-N
- SMILES: O(C1C=CC(C)=CC=1)C(C)CC
Computed Properties
- Exact Mass: 164.12018
- Monoisotopic Mass: 164.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 114
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1-methyl-4-(1-methylpropoxy)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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
51241-46-4 (Benzene, 1-methyl-4-(1-methylpropoxy)-) Related Products
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