Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy-
- Formula: C10H12O3
- Molecular weight: 180.2005
- IUPAC Standard InChI: InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3
- IUPAC Standard InChIKey: JMFRWRFFLBVWSI-UHFFFAOYSA-N
- CAS Registry Number: 458-35-5
- 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. - Stereoisomers:
- Other names: 2-Propen-1-ol, 3-(4-hydroxy-3-methoxyphenyl)-; γ-Hydroxyisoeugenol; p-Hydroxy-m-methoxycinnamyl alcohol; Coniferol; Coniferyl alcohol; 4-Hydroxy-3-methoxycinnamic alcohol; 3-(4-Hydroxy-3-methoxyphenyl)-2-propen-1-ol; 3-(4-Hydroxy-3-methoxyphenyl)allyl alcohol; 4-[3-Hydroxy-1-propenyl]-2-methoxyphenol; Coniferylic alcohol; Phenol, 4-(3-hydroxy-1-propen-1-yl)-2-methoxy-; 4-[(1E)-3-Hydroxy-1-propenyl]-2-methoxyphenol; 4-hydroxy-3-methoxycinnamylic alcohol
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, References, Notes
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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| NIST MS number | 32001 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), References, Notes
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 | 1663. | Isidorov, Zenkevich, et al., 1998 | 30. m/0.25 mm/0.25 μm, 3. K/min; Tstart: 50. C; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 1726. | Boulanger and Crouzet, 2001 | 30. m/0.25 mm/0.25 μm, H2; Program: 40C (5min) => 2C/min => 200C => 5C/min => 250C (15min) |
| Capillary | DB-5MS | 1729. | Boulanger and Crouzet, 2000 | 30. m/0.25 mm/0.25 μm, H2/N2; Program: 40C (5min) => 2C/min => 200C => 5C/min => 250C (15min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 1688. | Da Costa, Yang, et al., 2010 | 50. m/0.32 mm/0.50 μm, 2. K/min, 270. C @ 10. min; Tstart: 40. C |
| Capillary | HP-1 | 1685. | Castel, Fernandez, et al., 2006 | 50. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 120. min; Tstart: 60. C |
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 290.82 | Williams and Horne, 1995 | He, 60. C @ 2. min, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tend: 270. C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Isidorov, Zenkevich, et al., 1998
Isidorov, V.A.; Zenkevich, I.G.; Dubis, E.N.; Slowikowski, A.; Wojciuk, E.,
Group identification of essential oils components using partition coefficients in a hexane-acetonitrile system,
J. Chromatogr. A, 1998, 814, 1-2, 253-260, https://doi.org/10.1016/S0021-9673(98)00398-7
. [all data]
Boulanger and Crouzet, 2001
Boulanger, R.; Crouzet, J.,
Identification of the aroma components of acerola (Malphigia glabra L.): free and bound flavor compounds,
Food Chem., 2001, 74, 2, 209-216, https://doi.org/10.1016/S0308-8146(01)00128-5
. [all data]
Boulanger and Crouzet, 2000
Boulanger, R.; Crouzet, J.,
Free and bound flavour components of Amazonian fruits: 3-glycosidically bound components of cupuacu,
Food Chem., 2000, 70, 4, 463-470, https://doi.org/10.1016/S0308-8146(00)00112-6
. [all data]
Da Costa, Yang, et al., 2010
Da Costa, N.C.; Yang, Y.; Kowalczyk, J.; Poulsen, M.L.,
The analysis of volatiles and non-volatiles in Yerba Mate tea (Ilex paraguariensis)
in Proc. 12th Weurman Symp., Blank, I.; Wust, M.; Yeretzian, C., ed(s)., Institut fur Chemie und Biologisher Chemie, Wissenschafen, Winterthur, 2010, 494-497. [all data]
Castel, Fernandez, et al., 2006
Castel, C.; Fernandez, X.; Lizzani-Cuvelier, L.; Perichet, C.; Lavoine, S.,
Characterization of the Chemical Composition of a Byproduct from Siam Benzoin Gum,
J. Agric. Food Chem., 2006, 54, 23, 8848-8854, https://doi.org/10.1021/jf061193y
. [all data]
Williams and Horne, 1995
Williams, P.T.; Horne, P.A.,
Analysis of aromatic hydrocarbons in pyrolytic oil derived from biomass,
J. Anal. Appl. Pyrolysis, 1995, 31, 15-37, https://doi.org/10.1016/0165-2370(94)00814-H
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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