Cas no 111170-56-0 (Benzeneacetic acid, a-methyl-, ethyl ester, (aR)-)
111170-56-0 structure
Product Name:Benzeneacetic acid, a-methyl-, ethyl ester, (aR)-
CAS No:111170-56-0
MF:C11H14O2
MW:178.227663516998
CID:138720
PubChem ID:7204861
Update Time:2025-04-19
Benzeneacetic acid, a-methyl-, ethyl ester, (aR)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-methyl-, ethyl ester, (aR)-
- (S)-2-PHENYLPROPIONATE ETHYL
- ETHYL (S)-2-PHENYLPROPIONATE
- ethyl (2S)-2-phenylpropanoate
- (R)-ethyl 2-phenylpropanoate
- (+)-Ethyl hydratropate
- SCHEMBL5983555
- 111170-56-0
- AKOS006293239
- Benzeneacetic acid,a-methyl-,ethyl ester,(ar)-
- UTUVIKZNQWNGIM-VIFPVBQESA-N
- (s)-(+)-ethyl 2-phenylpropionate
- (S)-ethyl 2-phenylpropanoate
-
- Inchi： 1S/C11H14O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m0/s1
- InChI Key： UTUVIKZNQWNGIM-VIFPVBQESA-N
- SMILES： O(CC)C([C@@H](C)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 178.09942
- Monoisotopic Mass: 178.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 160
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.012
- Boiling Point: 232.2°C at 760 mmHg
- Flash Point: 93.6°C
- Refractive Index: 1.496
- PSA: 26.3
- LogP: 2.35320
Benzeneacetic acid, a-methyl-, ethyl ester, (aR)- Related Literature
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
111170-56-0 (Benzeneacetic acid, a-methyl-, ethyl ester, (aR)-) Related Products
- 2901-13-5(Ethyl Dimethylphenylacetate)
- 3469-00-9(Methyl 2,2-Diphenylacetate)
- 17838-69-6(Ethyl 3-oxo-2-Phenylpropanoate)
- 14510-36-2(Acetyltropic Acid)
- 2510-99-8(2-Phenylpropionic Acid Ethyl Ester)
- 83-13-6(Diethyl phenylmalonate)
- 102-13-6(Isobutyl 2-phenylacetate)
- 103-48-0(phenethyl isobutyrate)
- 57625-74-8(Methyl Dimethylbenzeneacetate)
- 17097-90-4(3-Ethoxy-3-oxo-2-phenylpropanoic acid)
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