Cas no 76917-23-2 (2,6-Octadienal,(2E,6Z)-)
2,6-Octadienal,(2E,6Z)- structure
Product Name:2,6-Octadienal,(2E,6Z)-
CAS No:76917-23-2
MF:C8H12O
MW:124.180282592773
CID:564992
PubChem ID:20836195
Update Time:2025-04-19
2,6-Octadienal,(2E,6Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Octadienal,(2E,6Z)-
- (2E,6Z)-2,6-octadienal
- (2E,6Z)-octa-2,6-dienal
- 2E,6Z-Octadienal
- DTXSID001314440
- LMFA06000133
- 2,6-Octadienal
- EINECS 278-574-9
- XA97AW7T5Y
- FEMA NO. 5003
- CHEBI:195673
- NS00089439
- (e,z)-2,6-octadienal
- 76917-23-2
- SCHEMBL1300754
- 2,6-Octadienal, (2E,6Z)-
-
- Inchi： 1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2-3,6-8H,4-5H2,1H3/b3-2-,7-6+
- InChI Key： CBXNRMOWVZUZQA-BRXUXDTNSA-N
- SMILES： O=C/C=C/CC/C=C\C
Computed Properties
- Exact Mass: 124.088815
- Monoisotopic Mass: 124.088815
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 112
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
- XLogP3: 1.8
Experimental Properties
- Density: 0.855
- Boiling Point: 190.6°C at 760 mmHg
- Flash Point: 74.1°C
- Refractive Index: 1.455
2,6-Octadienal,(2E,6Z)- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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