Cas no 54542-32-4 (2,4-Hexadienoic acid, 5-methyl-, ethyl ester, (2E)-)
54542-32-4 structure
Product Name:2,4-Hexadienoic acid, 5-methyl-, ethyl ester, (2E)-
CAS No:54542-32-4
MF:C9H14O2
MW:154.206263065338
CID:354286
PubChem ID:12277545
Update Time:2025-04-19
2,4-Hexadienoic acid, 5-methyl-, ethyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexadienoic acid, 5-methyl-, ethyl ester, (2E)-
- ethyl 5-methylhexa-2,4-dienoate
- 10231-96-6
- ETHYL (2E)-5-METHYLHEXA-2,4-DIENOATE
- 54542-32-4
- 5-Methyl-sorbic Acid Ethyl Ester
- CHEMBL97194
- SCHEMBL13855471
- starbld0001881
-
- Inchi： 1S/C9H14O2/c1-4-11-9(10)7-5-6-8(2)3/h5-7H,4H2,1-3H3/b7-5+
- InChI Key： WANQTLPABDXASE-FNORWQNLSA-N
- SMILES： O(C(/C=C/C=C(\C)/C)=O)CC
Computed Properties
- Exact Mass: 154.09942
- Monoisotopic Mass: 154.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 174
- 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
- XLogP3: 2.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2,4-Hexadienoic acid, 5-methyl-, ethyl ester, (2E)- Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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