Cas no 49576-57-0 (2-Octenal, 2-methyl-,(2E)-)
2-Octenal, 2-methyl-,(2E)- structure
Product Name:2-Octenal, 2-methyl-,(2E)-
CAS No:49576-57-0
MF:C9H16O
MW:140.222743034363
CID:329368
Update Time:2025-04-19
2-Octenal, 2-methyl-,(2E)- Chemical and Physical Properties
Names and Identifiers
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- 2-Octenal, 2-methyl-,(2E)-
- (E)-2-methyloct-2-enal
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- Inchi: 1S/C9H16O/c1-3-4-5-6-7-9(2)8-10/h7-8H,3-6H2,1-2H3/b9-7-
- InChI Key: IHZRGRBFNMNNFV-CLFYSBASSA-N
- SMILES: CCCCC/C=C(\C=O)/C
Computed Properties
- Exact Mass: 140.120115
- Monoisotopic Mass: 140.120115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 114
- 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: 17.1
Experimental Properties
- Density: 0.835
- Boiling Point: 203.9°Cat760mmHg
- Flash Point: 59.1°C
- Refractive Index: 1.435
- FEMA: 3711 | 2-METHYL-2-OCTENAL
2-Octenal, 2-methyl-,(2E)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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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