Cas no 4747-11-9 ((1-phenoxyethyl)benzene)
(1-phenoxyethyl)benzene structure
Product Name:(1-phenoxyethyl)benzene
(1-phenoxyethyl)benzene Chemical and Physical Properties
Names and Identifiers
-
- (1-phenoxyethyl)benzene
- 1-Phenoxy-1-phenyl-ethan
- 1-Phenyl-1-phenoxyethane
- 1-Phenylethylphenylether
- AC1Q2C1X
- AC1Q57ID
- AGN-PC-004CMN
- NCIOpen2_001726
- NSC98401
- PhCH(OPh)Me
- phenyl 1-phenylethyl ether
- SureCN4363303
- (1-Phenylethoxy)benzene #
- SCHEMBL4363303
- NSC 98401
- DB-321307
- 4747-11-9
- NSC-98401
- NS00045105
- AKOS014091843
- EINECS 225-264-6
-
- Inchi： 1S/C14H14O/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2-12H,1H3
- InChI Key： MMDVBQJVKNNYLU-UHFFFAOYSA-N
- SMILES： CC(C1C=CC=CC=1)OC1C=CC=CC=1
Computed Properties
- Exact Mass: 198.10452
- Monoisotopic Mass: 198.104465
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 166
- 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
- Topological Polar Surface Area: 9.2
- XLogP3: 3.8
Experimental Properties
- Density: 1.035
- Boiling Point: 291.4°C at 760 mmHg
- Flash Point: 112.7°C
- Refractive Index: 1.561
- PSA: 9.23
- LogP: 3.82660
(1-phenoxyethyl)benzene Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
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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