Cas no 94133-59-2 (Benzeneacetaldehyde, a-butylidene-)
94133-59-2 structure
Product Name:Benzeneacetaldehyde, a-butylidene-
CAS No:94133-59-2
MF:C12H14O
MW:174.238963603973
CID:806563
PubChem ID:6433026
Update Time:2025-04-19
Benzeneacetaldehyde, a-butylidene- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetaldehyde, a-butylidene-
- 2-phenylhex-2-enal
- 94133-59-2
- EINECS 302-720-3
- SCHEMBL6129937
-
- Inchi： 1S/C12H14O/c1-2-3-7-12(10-13)11-8-5-4-6-9-11/h4-10H,2-3H2,1H3/b12-7-
- InChI Key： LYAVRIBWJOVBLZ-GHXNOFRVSA-N
- SMILES： O=C/C(/C1C=CC=CC=1)=C/CCC
Computed Properties
- Exact Mass: 174.104465
- Monoisotopic Mass: 174.104465
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
- XLogP3: 3.2
Experimental Properties
- Density: 0.964
- Boiling Point: 302°Cat760mmHg
- Flash Point: 116.1°C
- Refractive Index: 1.519
Benzeneacetaldehyde, a-butylidene- Related Literature
-
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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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