Phenylethyl salicylate
- Formula: C15H14O3
- Molecular weight: 242.2699
- IUPAC Standard InChIKey: YNMSDIQQNIRGDP-UHFFFAOYSA-N
- CAS Registry Number: 87-22-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: β-Phenylethyl salicylate; Benzoic acid, 2-hydroxy-, 2-phenylethyl ester; Benzylcarbinyl salicylate; Phenethyl salicylate; Phenylethyl salicyalte; Salicylic acid, phenethyl ester; 2-Phenylethyl salicylate
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Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | SE-30 | 100. | 1934.0 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1987. | Rout, Rao, et al., 2007 | 25. m/0.25 mm/0.25 μm, He, 2. K/min, 200. C @ 60. min; Tstart: 60. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-1 | 1930. | Kalemba and Thiem, 2004 | 30. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 60. C; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1966. | Ferreira, Meireles de Sousa, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (10min) |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tudor, 1997
Tudor, E.,
Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6
. [all data]
Rout, Rao, et al., 2007
Rout, P.K.; Rao, Y.R.; Sree., A.; Naik, S.N.,
Composition of essential oil, concrete, absolute, wax and headspace volatiles of Murrarya paniculata (Linn.) Jack flowers,
Flavour Fragr. J., 2007, 22, 5, 352-357, https://doi.org/10.1002/ffj.1804
. [all data]
Kalemba and Thiem, 2004
Kalemba, D.; Thiem, B.,
Constituents of the essential oils of four micropropagated Solidago species,
Flavour Fragr. J., 2004, 19, 1, 40-43, https://doi.org/10.1002/ffj.1271
. [all data]
Ferreira, Meireles de Sousa, et al., 2007
Ferreira, N.J.; Meireles de Sousa, I.G.; Luís, T.C.; Currais, A.J.M.; Figueiredo, C.; Cost, M.M.; Lima, A.S.B.; Santos, P.A.G.; Barroso, J.G.; Pedro, L.G.; Scheffer, J.J.C.,
Pittosporum undulatum Vent. grown in Portugal: secretory structures, seasonal variation and enantiomeric composition of its essential oil,
Flavour Fragr. J., 2007, 22, 1, 1-9, https://doi.org/10.1002/ffj.1748
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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