Benzaldehyde, 4-methoxy-
- Formula: C8H8O2
- Molecular weight: 136.1479
- IUPAC Standard InChIKey: ZRSNZINYAWTAHE-UHFFFAOYSA-N
- CAS Registry Number: 123-11-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: p-Anisaldehyde; p-Anisic aldehyde; p-Formylanisole; p-Methoxybenzaldehyde; Anisaldehyde; Aubepine; Crategine; Obepin; 4-Anisaldehyde; 4-Methoxybenzaldehyde; Anisic aldehyde; Anisaldehyde (para); para-Anisaldehyde; NSC 5590; Anisal; Methoxybenzaldehyde
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Sil PONA GB | DB-5 | DB-5 | HP-5MS | HP-5 |
| Column length (m) | 100. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | H2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 140. | 40. | 35. | 60. | 50. |
| Tend (C) | 230. | 230. | 270. | 250. | 290. |
| Heat rate (K/min) | 5. | 6. | 5. | 4. | 4. |
| Initial hold (min) | 10. | 1. | 2. | ||
| Final hold (min) | 25. | 20. | 20. | ||
| I | 1227. | 1252. | 1252. | 1251. | 1252. |
| Reference | Cunicao, Lopes, et al., 2007 | Zeller and Rychlik, 2006 | Alves, Pinto, et al., 2005 | Pino, Mesa, et al., 2005 | Flach A., Dondon R.C., et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | HP-5 | HP-5MS | SPB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 15. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | |
| Tstart (C) | 40. | 25. | 60. | 60. | 30. |
| Tend (C) | 250. | 150. | 280. | 250. | 225. |
| Heat rate (K/min) | 2. | 3. | 3. | 4. | 10. |
| Initial hold (min) | 5. | 5. | 2. | 2. | |
| Final hold (min) | 20. | 20. | 20. | ||
| I | 1200. | 1252. | 1270. | 1252. | 1244. |
| Reference | de Feo, Bruno, et al., 2003 | Isidorov, Vinogorova, et al., 2003 | Mimica-Dukic, Kujundzic, et al., 2003 | Pino, Marbot, et al., 2002 | Zhou, Wintersteen, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | OV-1 | DB-1 | BP-1 | OV-101 |
| Column length (m) | 30. | 25. | 60. | 12. | 50. |
| Carrier gas | H2 | H2 | He | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.27 | |
| Phase thickness (μm) | 0.25 | 0.3 | 0.25 | ||
| Tstart (C) | 60. | 50. | 40. | 40. | 110. |
| Tend (C) | 240. | 200. | 160. | 240. | |
| Heat rate (K/min) | 3. | 3. | 2. | 4. | 2. |
| Initial hold (min) | 1. | 3. | 2. | ||
| Final hold (min) | 20. | 15. | 75. | ||
| I | 1249. | 1210. | 1229. | 1207. | 1238. |
| Reference | Nogueira, Bittrich, et al., 2001 | Bicchi, Fresia, et al., 1997 | Stashenko, Martinez, et al., 1995 | Tan, Wilkins, et al., 1989 | Wang and Sun, 1985 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | OV-101 | OV-101 | OV-101 | OV-101 |
| Column length (m) | 50. | 50. | 50. | 50. |
| Carrier gas | ||||
| Substrate | ||||
| Column diameter (mm) | 0.27 | 0.27 | 0.27 | 0.27 |
| Phase thickness (μm) | ||||
| Tstart (C) | 125. | 80. | 80. | 95. |
| Tend (C) | ||||
| Heat rate (K/min) | 2. | 3. | 4. | 2. |
| Initial hold (min) | ||||
| Final hold (min) | ||||
| I | 1240. | 1238. | 1240. | 1236. |
| Reference | Wang and Sun, 1985 | Wang and Sun, 1985 | Wang and Sun, 1985 | Wang and Sun, 1985 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cunicao, Lopes, et al., 2007
Cunicao, M.M.; Lopes, A.R.; Côcco, L.C.; Yamamoto, C.I.; Plocharski, R.C.B.; Miguel, M.D.; Junior, A.G.; Auer, C.G.; Miguel, O.G.,
Phytochemical and antibacterial evaluation of essential oils from Ottonia Martiana Miq. (Piperaceae),
J. Braz. Chem. Soc., 2007, 18, 1, 184-188, https://doi.org/10.1590/S0103-50532007000100021
. [all data]
Zeller and Rychlik, 2006
Zeller, A.; Rychlik, M.,
Character impact odorants of fennel fruits and fennel tea,
J. Agric. Food Chem., 2006, 54, 10, 3686-3692, https://doi.org/10.1021/jf052944j
. [all data]
Alves, Pinto, et al., 2005
Alves, R.J.V.; Pinto, A.C.; da Costa, A.V.M.; Rezende, C.M.,
Zizyphus mauritiana Lam. (Rhamnaceae) and the chemical composition of its floral fecal odor,
J. Braz. Chem. Soc., 2005, 16, 3B, 654-656, https://doi.org/10.1590/S0103-50532005000400027
. [all data]
Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [all data]
Flach A., Dondon R.C., et al., 2004
Flach A.; Dondon R.C.; Singer R.B.; Koehler S.; Amaral M.D.E.; Marsaioli A.J.,
The chemistry of pollination in selected Brazilian maxillariinae orchids: Floral rewards and fragrance,
J. Chem. Ecol., 2004, 30, 5, 1045-1056, https://doi.org/10.1023/B:JOEC.0000028466.50392.ed
. [all data]
de Feo, Bruno, et al., 2003
de Feo, V.; Bruno, M.; Tahiri, B.; Napolitano, F.; Senatore, F.,
Chemical composition and antibacterial activity of essential oils from Thymus spinulosus Ten. (Lamiaceae),
J. Agric. Food Chem., 2003, 51, 13, 3849-3853, https://doi.org/10.1021/jf021232f
. [all data]
Isidorov, Vinogorova, et al., 2003
Isidorov, V.A.; Vinogorova, V.T.; Rafalowski, K.,
HS-SPME analysis of volatile organic compounds of coniferous needle litter,
Atmos. Environ., 2003, 37, 33, 4645-4650, https://doi.org/10.1016/j.atmosenv.2003.07.005
. [all data]
Mimica-Dukic, Kujundzic, et al., 2003
Mimica-Dukic, N.; Kujundzic, S.; Sokovic, M.; Couladis, M.,
Essential oil composition and antifungal activity of Foeniculum vulgare Mill. obtained by different distillation conditions,
Phytother. Res., 2003, 17, 4, 368-371, https://doi.org/10.1002/ptr.1159
. [all data]
Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A.,
Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba,
Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116
. [all data]
Zhou, Wintersteen, et al., 2002
Zhou, Q.; Wintersteen, C.L.; Cadwallader, K.R.,
Identification and quantification of aroma-active components that contribute to the distinct malty flavor of buckwheat honey,
J. Agric. Food Chem., 2002, 50, 7, 2016-2021, https://doi.org/10.1021/jf011436g
. [all data]
Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J.,
The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae),
Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2
. [all data]
Bicchi, Fresia, et al., 1997
Bicchi, C.; Fresia, M.; Rubiolo, P.; Monti, D.; Franz, C.; Goehler, I.,
Constituents of Tagetes lucida Cav. ssp. lucida essential oil,
Flavour Fragr. J., 1997, 12, 1, 47-52, https://doi.org/10.1002/(SICI)1099-1026(199701)12:1<47::AID-FFJ610>3.0.CO;2-7
. [all data]
Stashenko, Martinez, et al., 1995
Stashenko, E.E.; Martinez, C.R.; Martinez, J.R.; Shibamoto, T.,
Catalytic transformation of anise (Pimpinella anisum L.) oil over zeolite Y,
J. Hi. Res. Chromatogr., 1995, 18, 8, 501-503, https://doi.org/10.1002/jhrc.1240180810
. [all data]
Tan, Wilkins, et al., 1989
Tan, S.T.; Wilkins, A.L.; Holland, P.T.; McGhie, T.K.,
Extractives from New Zealand unifloral honeys. 2. Degraded carotenoids and other substances from heather honey,
J. Agric. Food Chem., 1989, 37, 5, 1217-1221, https://doi.org/10.1021/jf00089a004
. [all data]
Wang and Sun, 1985
Wang, T.; Sun, Y.,
Correlation of Retention Indices obtained with Two Temperature Programmes,
J. Chromatogr., 1985, 330, 167-171, https://doi.org/10.1016/S0021-9673(01)81973-7
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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