Cas no 764-40-9 (2,4-Pentadienal)
2,4-Pentadienal structure
Product Name:2,4-Pentadienal
2,4-Pentadienal Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pentadienal
- 1,3-Pentadiene-5-one
- penta-2,4-dienal
- (2Z)-penta-2,4-dienal
- 1,3-Pentadien-5-al
- FEMA No. 3217
- NSC 65074
-
- Inchi： 1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3-
- InChI Key： PPXGQLMPUIVFRE-ARJAWSKDSA-N
- SMILES： O=C/C=C\C=C
Computed Properties
- Exact Mass: 82.04188
- Monoisotopic Mass: 82.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 2
- Complexity: 72
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 1
Experimental Properties
- Color/Form: Colorless liquid, aroma of fruit
- Density: 0.845 g/cm3
- Boiling Point: 128.7oC at 760 mmHg
- Flash Point: 44.4oC
- Refractive Index: 1.431
- PSA: 17.07
- LogP: 0.92750
- FEMA: 3217 | 2,4-PENTADIENAL
2,4-Pentadienal Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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