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alpha-Methylbenzyl Acetate
[CAS# 50373-55-2]

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Identification
Name alpha-Methylbenzyl Acetate
Synonyms Acetic Acid 1-Phenylethyl Ester; 1-Phenylethyl Ethanoate; W268402_Aldrich
Molecular Structure CAS#: 50373-55-2, alpha-Methylbenzyl Acetate
Molecular Formula C10H12O2
Molecular Weight 164.20
CAS Registry Number 50373-55-2
SMILES C1=CC=CC=C1C(OC(C)=O)C
InChI 1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey QUMXDOLUJCHOAY-UHFFFAOYSA-N
Properties
Density 20 (Expl.)
1.03g/cm3 (Cal.)
Boiling point 209.414°C at 760 mmHg (Cal.)
214°C (Expl.)
Flash point 91.111°C (Cal.)
Refractive index 1.492-1.504 (Expl.)
References
(1) Jian Gao, Jin-Quan Wang, Qing-Wen Song and Liang-Nian He. Iron(iii)-based ionic liquid-catalyzed regioselective benzylation of arenes and heteroarenes, Green Chem., 2011, 13, 1182.
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