Pentanoic acid, 4-oxo-, phenylmethyl ester
- Formula: C12H14O3
- Molecular weight: 206.2378
- IUPAC Standard InChIKey: KWQUVANYFZOCEA-UHFFFAOYSA-N
- CAS Registry Number: 6939-75-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Benzyl levulinate; benzyl 4-oxovalerate
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, polar column, temperature ramp
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|Column type||Active phase||I||Reference||Comment|
|Capillary||DB-Wax||2526.||Shu and Lawrence, 1995||30. m/0.32 mm/0.25 μm, 6. K/min; Tstart: 50. C; Tend: 190. C|
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Shu and Lawrence, 1995
Shu, C.-K.; Lawrence, B.M., Formation of 4-alkoxy-γ-valerolactones from levulinic acid and alcohols during storage at room temperature, J. Agric. Food Chem., 1995, 43, 3, 782-784, https://doi.org/10.1021/jf00051a041 . [all data]
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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