Benzaldehyde, 4-methoxy-
- Formula: C8H8O2
- Molecular weight: 136.1479
- IUPAC Standard InChI: InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
- 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
The 3d structure may be viewed using Java or Javascript. - 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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Normal alkane 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 | RTX-1 | HP-1 | DB-5 | CP Sil 8 CB | HP-5 |
| Column length (m) | 60. | 30. | 25. | 30. | 30. |
| Carrier gas | Helium | Helium | He | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 70. | 40. | 40. | 40. |
| Tend (C) | 230. | 220. | 230. | 250. | 240. |
| Heat rate (K/min) | 2. | 10. | 6. | 3. | 4. |
| Initial hold (min) | 1. | 5. | |||
| Final hold (min) | 5. | 20. | 5. | ||
| I | 1218. | 1236. | 1250. | 1261. | 1250. |
| Reference | Bendiabdellah, El Amine Dib, et al., 2012 | Nyegue, Ndoye, et al., 2009 | Zeller and Rychlik, 2007 | Li, Lee, et al., 2006 | Miyazawa and Kawata, 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5 | DB-5 | DB-5 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 50. | 60. |
| Carrier gas | He | Helium | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 40. | 40. | 60. | 60. | 35. |
| Tend (C) | 260. | 300. | 240. | 240. | 230. |
| Heat rate (K/min) | 2. | 4. | 2. | 2. | 2. |
| Initial hold (min) | 5. | 4. | |||
| Final hold (min) | 20. | 5. | 999. | 999. | 25. |
| I | 1242. | 1248. | 1249. | 1249. | 1206. |
| Reference | Senatore, Landolfi, et al., 2006 | Utsunomia, Kawata, et al., 2005 | Miyazawa, Fuhita, et al., 2004 | Miyazawa, Fujita, et al., 2004 | Park, Lee, 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 | DB-1 | DB-1 | DB-5 | OV-101 |
| Column length (m) | 60. | 60. | 60. | 30. | 25. |
| Carrier gas | He | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 35. | 35. | 35. | 60. | 50. |
| Tend (C) | 230. | 230. | 230. | 240. | 200. |
| Heat rate (K/min) | 2. | 2. | 2. | 3. | 5. |
| Initial hold (min) | 4. | 4. | 4. | ||
| Final hold (min) | 25. | 25. | 25. | ||
| I | 1206. | 1207. | 1211. | 1248. | 1210. |
| Reference | Park, Lee, et al., 2004 | Park, Lee, et al., 2004 | Park, Lee, et al., 2004 | Tellez, Khan, et al., 2004 | Agnaniet, Mounzeo, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | SPB-5 | DB-1 | Optima-1 | OV-101 |
| Column length (m) | 25. | 30. | 60. | 25. | 50. |
| Carrier gas | He | Helium | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.20 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 60. | 50. | 50. | 80. |
| Tend (C) | 280. | 250. | 250. | 250. | 200. |
| Heat rate (K/min) | 3. | 4. | 4. | 3. | 1. |
| Initial hold (min) | 5. | 2. | 5. | 3. | |
| Final hold (min) | 5. | 20. | 20. | ||
| I | 1250. | 1252. | 1215. | 1221. | 1236. |
| Reference | Merle, Blázquez, et al., 2002 | Pino, Marbot, et al., 2002 | Yamini, Sefidkon, et al., 2002 | de Beck, Bessière, et al., 2000 | Menon, Chacko, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | CBP-1 | Ultra-1 | DB-1 |
| Column length (m) | 30. | 25. | 60. |
| Carrier gas | He | He | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | ||
| Tstart (C) | 60. | 80. | 50. |
| Tend (C) | 240. | 260. | 250. |
| Heat rate (K/min) | 4. | 3. | 4. |
| Initial hold (min) | 0.1 | ||
| Final hold (min) | 5. | ||
| I | 1210. | 1208. | 1207. |
| Reference | Lamarque, Maestri, et al., 1998 | Okumura, 1991 | Flath, Mon, et al., 1983 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A.,
Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria,
Chem. Centr. J., 2012, 6, 48, 1-22. [all data]
Nyegue, Ndoye, et al., 2009
Nyegue, M.; Ndoye, F.; Zollo, P.-H.A.; Etoa, F.-X.; Agnaniet, H.; Menut, C.,
Chemical and biological evaluation of essential oil of Pentadiplandra brazzeana (Nail.) roots from Cameroon,
Adv. Phytoterapy Res., 2009, 91-107. [all data]
Zeller and Rychlik, 2007
Zeller, A.; Rychlik, M.,
Impact of estragole and other odorants on the flavour of anise and tarragon,
Flavour Fragr. J., 2007, 22, 2, 105-113, https://doi.org/10.1002/ffj.1765
. [all data]
Li, Lee, et al., 2006
Li, Z.-G.; Lee, M.-R.; Shen, D.-L.,
Analysis of volatile compounds emitted from fresh Syringa oblata flowers in different florescence by headspace solid-phase microextraction-gas chromatography-mass spectrometry,
Anal. Chim. Acta., 2006, 576, 1, 43-49, https://doi.org/10.1016/j.aca.2006.01.074
. [all data]
Miyazawa and Kawata, 2006
Miyazawa, M.; Kawata, J.,
Identification of the Key Aroma Compounds in Dried Roots of Rubia cordifolia,
L. Oleo Sci., 2006, 55, 1, 37-39, https://doi.org/10.5650/jos.55.37
. [all data]
Senatore, Landolfi, et al., 2006
Senatore, F.; Landolfi, S.; Celik, S.; Bruno, M.,
Volatile components of Centaurea calcitrapa L. and Centaurea sphaerocephala L. ssp. sphaerocephala, two Asteraceae growing wild in Sicily,
Flavour Fragr. J., 2006, 21, 2, 282-285, https://doi.org/10.1002/ffj.1585
. [all data]
Utsunomia, Kawata, et al., 2005
Utsunomia, H.; Kawata, J.; Chanoki, W.; Shirakawa, N.; Miyazawa, M.,
Components of Essential Oil from Woods of Prunus mume Sieb. at Zucc.,
J. Oleo Sci., 2005, 54, 11, 609-612, https://doi.org/10.5650/jos.54.609
. [all data]
Miyazawa, Fuhita, et al., 2004
Miyazawa, M.; Fuhita, T.; Yamafuji, C.; Matsui, M.; Kasahara, N.; Takagi, Y.; Ishikawa, Y.,
Chemical composition of volatile oil from the roots of Periploca sepium,
J. Oleo Sci., 2004, 53, 10, 511-513, https://doi.org/10.5650/jos.53.511
. [all data]
Miyazawa, Fujita, et al., 2004
Miyazawa, M.; Fujita, T.; Yamafuji, C.; Matsui, M.; Kasahara, N.; Takagi, Y.; Ishikawa, Y.,
Chemical composition of volatile oil from the roots of Periploca sepium,
J. Oleo Sci., 2004, 53, 11, 511-513, https://doi.org/10.5650/jos.53.511
. [all data]
Park, Lee, et al., 2004
Park, B.-S.; Lee, K.-G.; Takeoka, G.R.,
Comparison of three sample preparation methods on the recovery of volatiles from taheebo (Tabebuia impetiginosa Martius ex DC),
Flavour Fragr. J., 2004, 19, 4, 287-292, https://doi.org/10.1002/ffj.1345
. [all data]
Tellez, Khan, et al., 2004
Tellez, M.R.; Khan, I.A.; Schaneberg, B.T.; Crockett, S.L.; Rimando, A.M.; Kobaisy, M.,
Steam distillation-solid-phase microextraction for the detection of Ephedra sinica in herbal preparations,
J. Chromatogr. A, 2004, 1025, 1, 51-56, https://doi.org/10.1016/S0021-9673(03)01035-5
. [all data]
Agnaniet, Mounzeo, et al., 2003
Agnaniet, H.; Mounzeo, H.; Menut, C.; Bessiere, J.-M.; Criton, M.,
The essential oils of Rinorea subintegrifolia O. Ktze and Drypetes gossweileri S. Moore occurring in Gabon,
Flavour Fragr. J., 2003, 18, 3, 207-210, https://doi.org/10.1002/ffj.1185
. [all data]
Merle, Blázquez, et al., 2002
Merle, H.; Blázquez, M.A.; Boira, H.,
Chemical composition of the essential oil of Eriobotrya japonica (Thunb.) Lindl. flowers in the western Mediterranean area
in International Symposium on Loquat, April 11-13, 2002 (CIHEAM-IAMZ, 2003, p. 191-193), Llácer,G.; Badenes,M.L., ed(s)., Centre International de Hautes Etudes Agronomiques Mediterranean, Valencia, Spain, 2002, 191-193. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vazquez, C.,
Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.),
Revista CENIC Ciencias Quimicas, 2002, 33, 3, 115-119. [all data]
Yamini, Sefidkon, et al., 2002
Yamini, Y.; Sefidkon, F.; Pourmortazavi, S.M.,
Comparison of essential oil composition of Iranian fennel (Foeniculum vulgare) obtained by supercritical carbon dioxide extraction and hydrodistillation methods,
Flavour Fragr. J., 2002, 17, 5, 345-348, https://doi.org/10.1002/ffj.1117
. [all data]
de Beck, Bessière, et al., 2000
de Beck, P.O.; Bessière, J.M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M.,
Volatile constituents from leaves and wood of Leea guineensis G. Don (Leeaceae) from Cameroon,
Flavour Fragr. J., 2000, 15, 3, 182-185, https://doi.org/10.1002/1099-1026(200005/06)15:3<182::AID-FFJ888>3.0.CO;2-X
. [all data]
Menon, Chacko, et al., 1999
Menon, A.N.; Chacko, S.; Narayanan, C.S.,
Free and glycosidically bound volatiles of cardamom (Eletteria cardamomum Maton var. miniscula Burkill),
Flavour Fragr. J., 1999, 14, 1, 65-68, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<65::AID-FFJ789>3.0.CO;2-A
. [all data]
Lamarque, Maestri, et al., 1998
Lamarque, A.L.; Maestri, D.M.; Zygadlo, J.A.; Grosso, N.R.,
Volatile constituents from flowers of Acacia caven (Mol.) Mol. var. caven, Acacia aroma Gill. ex Hook., Erythrina crista-galli L. and Calliandra tweedii Benth.,
Flavour Fragr. J., 1998, 13, 4, 266-268, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<266::AID-FFJ739>3.0.CO;2-5
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Flath, Mon, et al., 1983
Flath, R.A.; Mon, T.R.; Lorenz, G.; Whitten, C.J.; Mackley, J.W.,
Volatile components of Acacia sp. blossoms,
J. Agric. Food Chem., 1983, 31, 6, 1167-1170, https://doi.org/10.1021/jf00120a008
. [all data]
Notes
Go To: Top, Normal alkane 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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