Cas no 50373-50-7 (Benzeneethanol, b-methyl-, 1-acetate, (bS)-)
50373-50-7 structure
Product Name:Benzeneethanol, b-methyl-, 1-acetate, (bS)-
CAS No:50373-50-7
MF:C11H14O2
MW:178.227663516998
CID:371201
PubChem ID:10261650
Update Time:2025-04-19
Benzeneethanol, b-methyl-, 1-acetate, (bS)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanol, b-methyl-, 1-acetate, (bS)-
- (S)-beta-methylphenethyl acetate
- (2S)-2-phenylpropyl acetate
- SCHEMBL13034101
- EINECS 256-558-2
- NS00088694
- DTXSID301260462
- 50373-50-7
- Benzeneethanol, beta-methyl-, 1-acetate, (betaS)-
-
- Inchi： 1S/C11H14O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3/t9-/m1/s1
- InChI Key： RVPTTWAAIKMYAH-SECBINFHSA-N
- SMILES： O(C(C)=O)C[C@@H](C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 178.09938
- Monoisotopic Mass: 178.09938
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.4
- Topological Polar Surface Area: 26.3
Experimental Properties
- Density: 1.013
- Boiling Point: 239.983°C at 760 mmHg
- Flash Point: 99.06°C
- Refractive Index: 1.497
Benzeneethanol, b-methyl-, 1-acetate, (bS)- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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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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