Cas no 115514-11-9 (Benzenepropanal, 4-butoxy-)
Benzenepropanal, 4-butoxy- structure
Product Name:Benzenepropanal, 4-butoxy-
CAS No:115514-11-9
MF:C13H18O2
MW:206.280824184418
CID:832770
Update Time:2026-04-29
Benzenepropanal, 4-butoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanal, 4-butoxy-
- LogP
- 3-(4-Butoxyphenyl)propanal
- 4-BUTOXY-BENZENEPROPANAL
- 4-Butoxybenzenepropanal
-
- Inchi： InChI=1S/C13H18O2/c1-2-3-11-15-13-8-6-12(7-9-13)5-4-10-14/h6-10H,2-5,11H2,1H3
- InChI Key： BDJUTJCWEWKYNG-UHFFFAOYSA-N
- SMILES： CCCCOC1=CC=C(CCC=O)C=C1
Computed Properties
- Exact Mass: 206.13074
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
Experimental Properties
- Density: 0.984±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 303.7±17.0 oC (760 Torr),
- Flash Point: 123.1±14.5 oC,
- Solubility: Very slightly soluble (0.12 g/l) (25 o C),
- PSA: 26.3
Benzenepropanal, 4-butoxy- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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