Cas no 17090-70-9 (Dodecanal, 2-oxo-)
Dodecanal, 2-oxo- structure
Product Name:Dodecanal, 2-oxo-
CAS No:17090-70-9
MF:C12H22O2
MW:198.301884174347
CID:226908
PubChem ID:167621
Update Time:2025-04-19
Dodecanal, 2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Dodecanal, 2-oxo-
- 2-oxododecanal
- 17090-70-9
- DTXSID50168967
- SCHEMBL2567832
- Decylglyoxal
- dodecane-11,12-dione
-
- Inchi： 1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h11H,2-10H2,1H3
- InChI Key： JJRNDTFZUMHHGD-UHFFFAOYSA-N
- SMILES： O=C(C=O)CCCCCCCCCC
Computed Properties
- Exact Mass: 198.16206
- Monoisotopic Mass: 198.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 10
- Complexity: 152
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Density: 0.897
- Boiling Point: 267.9°C at 760 mmHg
- Flash Point: 103.4°C
- Refractive Index: 1.436
- PSA: 34.14
Dodecanal, 2-oxo- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
17090-70-9 (Dodecanal, 2-oxo-) Related Products
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