Cas no 112715-88-5 (Benzenepropanoic acid, dodecyl ester)
112715-88-5 structure
Product Name:Benzenepropanoic acid, dodecyl ester
CAS No:112715-88-5
MF:C21H34O2
MW:318.493466854095
CID:1203771
PubChem ID:569015
Update Time:2025-04-20
Benzenepropanoic acid, dodecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, dodecyl ester
- dodecyl 3-phenylpropanoate
- 112715-88-5
- 3-phenyl-propionic acid dodecyl ester
- Dodecyl 3-phenylpropanoate #
- ZOKHYZTWHSXALP-UHFFFAOYSA-N
- DTXSID30340986
-
- Inchi： 1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-14-19-23-21(22)18-17-20-15-12-11-13-16-20/h11-13,15-16H,2-10,14,17-19H2,1H3
- InChI Key： ZOKHYZTWHSXALP-UHFFFAOYSA-N
- SMILES： O(C(CCC1C=CC=CC=1)=O)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 318.25602
- Monoisotopic Mass: 318.255880323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 15
- Complexity: 269
- 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: 7.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzenepropanoic acid, dodecyl ester Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
112715-88-5 (Benzenepropanoic acid, dodecyl ester) Related Products
- 10031-93-3(Benzenebutanoic Acid Ethyl Ester)
- 101689-18-3(Methyl 7-phenylheptanoate)
- 2021-28-5(Ethyl 3-phenylpropionate)
- 20620-59-1(Methyl 5-Phenylpentanoate)
- 103-52-6(Phenethyl butyrate)
- 17071-29-3(ethyl 3-oxo-5-phenylpentanoate)
- 2046-17-5(Methyl 4-Phenylbutyrate)
- 103-25-3(Methyl 3-Phenylpropionate(3-Phenylpropionic Acid Methyl Ester))
- 104750-61-0(Ethyl 3-(o-tolyl)propanoate)
- 2983-36-0(Benzenepropanoic acid, a-ethyl-, ethyl ester)
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