Cas no 2901-23-7 (Benzenebutanoic acid, a-butyl-a-phenyl-, ethyl ester)
2901-23-7 structure
Product Name:Benzenebutanoic acid, a-butyl-a-phenyl-, ethyl ester
CAS No:2901-23-7
MF:C22H28O2
MW:324.456526756287
CID:265503
PubChem ID:417469
Update Time:2025-04-19
Benzenebutanoic acid, a-butyl-a-phenyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanoic acid, a-butyl-a-phenyl-, ethyl ester
- ethyl 2-phenyl-2-(2-phenylethyl)hexanoate
- 2,4-Diphenyl-2-butyl-buttersaeure-aethylester
- AC1L9DN4
- ethyl 2-phenethyl-2-phenylhexanoate
- NCIOpen2_009784
- NSC91861
- DTXSID30329115
- NSC-91861
- 2901-23-7
-
- Inchi： 1S/C22H28O2/c1-3-5-17-22(21(23)24-4-2,20-14-10-7-11-15-20)18-16-19-12-8-6-9-13-19/h6-15H,3-5,16-18H2,1-2H3
- InChI Key： WUXJRFMWBYZNDU-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C1C=CC=CC=1)(CCC1C=CC=CC=1)CCCC)=O
Computed Properties
- Exact Mass: 324.20904
- Monoisotopic Mass: 324.209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 10
- Complexity: 353
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.016
- Boiling Point: 430.3°Cat760mmHg
- Flash Point: 129.5°C
- Refractive Index: 1.53
- PSA: 26.3
- LogP: 5.31050
Benzenebutanoic acid, a-butyl-a-phenyl-, ethyl ester Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
2901-23-7 (Benzenebutanoic acid, a-butyl-a-phenyl-, ethyl ester) Related Products
- 119-43-7(Ethyl 2-Phenylbutyrate)
- 5413-05-8(Ethyl 2-Phenylacetoacetate)
- 2294-71-5(Methyl 2-phenylbutanoate)
- 182491-21-0(4-phenyloxane-4-carboxylic acid)
- 75945-90-3(METHYL 4-OXO-1-PHENYLCYCLOHEXANECARBOXYLATE)
- 956-89-8(α,α-Diphenyl-γ-butyrolactone)
- 76-67-5(Diethyl ethylphenylmalonate)
- 1519-21-7(Benzeneacetic acid, a-ethyl-, 1,1'-anhydride)
- 1131-15-3(3-phenyloxolane-2,5-dione)
- 101278-21-1(Dihydro-3,4-diphenyl-2,5-furandione)
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