Cas no 57355-72-3 (4-Octyn-2-ol)
4-Octyn-2-ol structure
Product Name:4-Octyn-2-ol
4-Octyn-2-ol Chemical and Physical Properties
Names and Identifiers
-
- 4-Octyn-2-ol
- oct-4-yn-2-ol
- 4-Octin-2-ol
- Oct-4-in-2-ol
- SCHEMBL4537639
- AKOS006273510
- BKGZMBTUPJVTIZ-UHFFFAOYSA-N
- FT-0640451
- DTXSID30972862
- 57355-72-3
-
- Inchi： 1S/C8H14O/c1-3-4-5-6-7-8(2)9/h8-9H,3-4,7H2,1-2H3
- InChI Key： BKGZMBTUPJVTIZ-UHFFFAOYSA-N
- SMILES： OC(C)CC#CCCC
Computed Properties
- Exact Mass: 126.10400
- Monoisotopic Mass: 126.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 115
- 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: 2
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.8537 (estimate)
- Melting Point: -39°C (estimate)
- Boiling Point: 204.35°C (rough estimate)
- Flash Point: 88.2°C
- Refractive Index: 1.4375 (estimate)
- PSA: 20.23000
- LogP: 1.56080
4-Octyn-2-ol Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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