Cas no 53172-84-2 (Benzene,(1-methyl-1-buten-1-yl)-)
53172-84-2 structure
Product Name:Benzene,(1-methyl-1-buten-1-yl)-
CAS No:53172-84-2
MF:C11H14
MW:146.228863239288
CID:372241
PubChem ID:5371801
Update Time:2025-04-19
Benzene,(1-methyl-1-buten-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,(1-methyl-1-buten-1-yl)-
- 2-PHENYL-2-PENTENE
- pent-2-en-2-ylbenzene
- 2-Phenyl-pent-2-en
- 2-phenylpent-2-ene
- [(E)-pent-2-en-2-yl]benzene
- [(1E)-1-Methyl-1-butenyl]benzene #
- PLPHXVSTHYOUJO-JXMROGBWSA-N
- 53172-84-2
- Benzene, (1-methyl-1-butenyl)-, E
- Benzene, (1-methyl-1-butenyl)-
-
- Inchi： 1S/C11H14/c1-3-7-10(2)11-8-5-4-6-9-11/h4-9H,3H2,1-2H3/b10-7+
- InChI Key： PLPHXVSTHYOUJO-JXMROGBWSA-N
- SMILES： C(/C)(=C/CC)\C1C=CC=CC=1
Computed Properties
- Exact Mass: 146.11000
- Monoisotopic Mass: 146.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 127
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0A^2
- XLogP3: 4
Experimental Properties
- Density: 0.8950
- Melting Point: -37°C (estimate)
- Boiling Point: 200.87°C (estimate)
- Flash Point: 69.7°C
- Refractive Index: 1.5196
- PSA: 0.00000
- LogP: 3.49990
Benzene,(1-methyl-1-buten-1-yl)- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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