Cas no 58191-81-4 (4-Hexenal,5-methyl-2-(1-methylethyl)-)
58191-81-4 structure
Product Name:4-Hexenal,5-methyl-2-(1-methylethyl)-
4-Hexenal,5-methyl-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Hexenal,5-methyl-2-(1-methylethyl)-
- 2-isopropyl-5-methylhex-4-enal
- 5-Methyl-2-(1-methylethyl)hex-4-en-1-al
- 5-methyl-2-(propan-2-yl)hex-4-enal
- 58191-81-4
- NS00052996
- DTXSID90275922
- EINECS 261-159-1
- 5989-36-6
- SCHEMBL16668898
- 4-Hexenal, 5-methyl-2-(1-methylethyl)-
- DTXSID10866679
-
- Inchi： 1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,7,9-10H,6H2,1-4H3
- InChI Key： QGWHBDAFRDCSBJ-UHFFFAOYSA-N
- SMILES： O=CC(C/C=C(\C)/C)C(C)C
Computed Properties
- Exact Mass: 154.13584
- Monoisotopic Mass: 154.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 141
- 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
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.833
- Boiling Point: 204.8°C at 760 mmHg
- Flash Point: 72.7°C
- Refractive Index: 1.435
- PSA: 17.07
4-Hexenal,5-methyl-2-(1-methylethyl)- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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