Cas no 30078-89-8 (Benzenebutanol, a-phenyl-)
Benzenebutanol, a-phenyl- structure
Product Name:Benzenebutanol, a-phenyl-
CAS No:30078-89-8
MF:C16H18O
MW:226.313524723053
CID:314331
PubChem ID:141543
Update Time:2025-04-19
Benzenebutanol, a-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanol, a-phenyl-
- 1,4-diphenylbutan-1-ol
- α-Phenylbenzene-1-butanol
- 1,4-Diphenyl-1-butanol
- Benzenebutanol, .alpha.-phenyl-
- Benzenebutanol, alpha-phenyl-
- DTXSID90952488
- SCHEMBL4575395
- 1,4-Diphenyl-1-butanol #
- 30078-89-8
- AKOS004905438
-
- Inchi： 1S/C16H18O/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12,16-17H,7,10,13H2
- InChI Key： CAGIBUJGQRHYEW-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=CC=1)CCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 226.13584
- Monoisotopic Mass: 226.135765
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 190
- 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: 20.2
- XLogP3: 3.7
Experimental Properties
- Density: 1.056
- Boiling Point: 375.2°Cat760mmHg
- Flash Point: 155.6°C
- Refractive Index: 1.578
- PSA: 20.23
Benzenebutanol, a-phenyl- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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