Cas no 94041-25-5 (4-Ethylphenyl 4'-trans-propylcyclohexylcarboxylate)
94041-25-5 structure
Product Name:4-Ethylphenyl 4'-trans-propylcyclohexylcarboxylate
CAS No:94041-25-5
MF:C18H25O2
MW:273.389905691147
CID:61678
PubChem ID:102600970
Update Time:2025-04-18
4-Ethylphenyl 4'-trans-propylcyclohexylcarboxylate Chemical and Physical Properties
Names and Identifiers
-
- 4-Ethylphenyl 4'-trans-propylcyclohexylcarboxylate
- 4-Ethylphenyl-4'-trans-propylcyclohexylcarboxylate
- FT-0745843
- 94041-25-5
- Cyclohexanecarboxylic acid, 4-propyl-, 4-ethylphenyl ester, trans-
-
- Inchi： 1S/C18H26O2/c1-3-5-15-10-12-18(13-11-15,17(19)20)16-8-6-14(4-2)7-9-16/h6-9,15H,3-5,10-13H2,1-2H3,(H,19,20)/p-1
- InChI Key： GGDFLSJGSBWCKO-UHFFFAOYSA-M
- SMILES： [O-]C(C1(C2C=CC(CC)=CC=2)CCC(CCC)CC1)=O
Computed Properties
- Exact Mass: 273.18500
- Monoisotopic Mass: 273.185455036g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 302
- 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: 6.1
- Topological Polar Surface Area: 40.1?2
Experimental Properties
- Density: 0.992±0.06 g/cm3(Predicted)
- Boiling Point: 373.9±21.0 °C(Predicted)
- PSA: 40.13000
- LogP: 3.22700
4-Ethylphenyl 4'-trans-propylcyclohexylcarboxylate Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
94041-25-5 (4-Ethylphenyl 4'-trans-propylcyclohexylcarboxylate) Related Products
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- 37828-19-6(1-phenylcyclobutane-1-carboxylic acid)
- 6120-95-2(1-phenylcyclopropane-1-carboxylic acid)
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