2-Phenylethanol, rutinoside, TFA
- Formula: C32H24F18O16
- Molecular weight: 1006.4946
- IUPAC Standard InChI: InChI=1S/C32H24F18O16/c1-10-13(61-21(51)27(33,34)35)15(63-23(53)29(39,40)41)17(65-25(55)31(45,46)47)20(59-10)58-9-12-14(62-22(52)28(36,37)38)16(64-24(54)30(42,43)44)18(66-26(56)32(48,49)50)19(60-12)57-8-7-11-5-3-2-4-6-11/h2-6,10,12-20H,7-9H2,1H3/t10-,12+,13-,14+,15+,16-,17+,18+,19+,20+/m1/s1
- IUPAC Standard InChIKey: XTZBPLHRZJNARN-PBAYVUIYSA-N
- 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: Phenethyl alcohol, Rut, TFA
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 2201. | Sakho, Chassagne, et al., 1997 | H2, 60. C @ 3. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 220. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 2184. | Boulanger, Chassagne, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2; Program: 125C => 3C/min => 220C => 2C/min => 280C |
| Capillary | DB-5 | 2191. | Boulanger, Chassagne, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2; Program: 125C => 3C/min => 220C => 2C/min => 280C |
| Capillary | DB-5MS | 2184. | Chassagne, Crouzet, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 125C => 3C/min => 220C => 2C/min => 280C |
| Capillary | DB-5MS | 2191. | Chassagne, Crouzet, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 125C => 3C/min => 220C => 2C/min => 280C |
| Capillary | DB-5 | 2191. | Sakho, Chassagne, et al., 1997 | H2; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
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.
Sakho, Chassagne, et al., 1997
Sakho, M.; Chassagne, D.; Crouzet, J.,
African mango glycosidically bound volatile compounds,
J. Agric. Food Chem., 1997, 45, 3, 883-888, https://doi.org/10.1021/jf960277b
. [all data]
Boulanger, Chassagne, et al., 1999
Boulanger, R.; Chassagne, D.; Crouzet, J.,
Free and bound flavour components of amazonian fruits. 1: Bacuri,
Flavour Fragr. J., 1999, 14, 5, 303-311, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<303::AID-FFJ834>3.0.CO;2-C
. [all data]
Chassagne, Crouzet, et al., 1998
Chassagne, D.; Crouzet, J.; Bayonove, C.L.; Baumes, R.L.,
Identification of passion fruit glycosides by gas chromatography/mass spectrometry,
J. Agric. Food Chem., 1998, 46, 10, 4352-4357, https://doi.org/10.1021/jf980416k
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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