Cas no 22165-08-8 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- p-Pentadecylanisol; Methyl-(4-pentadecyl-phenyl)-aether; NSC229602; 4-Pentadecyl-anisol; SureCN3220290; AC1L7OG8; 4-pentadecyl-anisole; 4-Methoxy-1-pentadecyl-benzol;
- DTXSID60310657
- 22165-08-8
- NSC229602
- SCHEMBL3220290
- NSC-229602
-
-
- Inchi： 1S/C22H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(23-2)20-18-21/h17-20H,3-16H2,1-2H3
- InChI Key： UQIRCMQIXDHIKQ-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(=CC=1)CCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 318.29244
- Monoisotopic Mass: 318.292
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 23
- Rotatable Bond Count: 15
- Complexity: 230
- 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: 9.5
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- Density: 0.882
- Boiling Point: 412.4°C at 760 mmHg
- Flash Point: 215.2°C
- Refractive Index: 1.481
- PSA: 9.23
Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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