Cas no 59059-42-6 (Benzaldehyde, 2-butyl-)
Benzaldehyde, 2-butyl- structure
Product Name:Benzaldehyde, 2-butyl-
CAS No:59059-42-6
MF:C11H14O
MW:162.228263378143
CID:340009
PubChem ID:12515981
Update Time:2025-04-19
Benzaldehyde, 2-butyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2-butyl-
- 2-butylbenzaldehyde
- DTXSID60501043
- IIBAAYFFTSJSFH-UHFFFAOYSA-N
- 59059-42-6
- SCHEMBL266417
- 2-butyl-benzaldehyde
-
- Inchi： 1S/C11H14O/c1-2-3-6-10-7-4-5-8-11(10)9-12/h4-5,7-9H,2-3,6H2,1H3
- InChI Key： IIBAAYFFTSJSFH-UHFFFAOYSA-N
- SMILES： O=CC1C=CC=CC=1CCCC
Computed Properties
- Exact Mass: 162.10452
- Monoisotopic Mass: 162.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 131
- 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: 3.6
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Benzaldehyde, 2-butyl- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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