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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Normal alkane RI, non-polar column, custom temperature program
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 | ZB-5 | DB-5 | DB-5 | OV-101 |
| Column length (m) | 60. | 30. | 50. | 30. | |
| Carrier gas | Helium | Helium | Helium | Hydrogen | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.32 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Program | not specified | 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min) | 60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C | 35 0C 4 0C/min -> 180 0C 17 0C/min -> 280 0C (10 min) | not specified |
| I | 1219. | 1255. | 1250. | 1250. | 1224. |
| Reference | Bendiabdellah, El Amine Dib, et al., 2012 | de Simon, Estruelas, et al., 2009 | Nivinsliene, Butkiene, et al., 2007 | Santos, Santiago, et al., 2007 | Ebrahimi and Hadjmohammadi, 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-52 | HP-5MS | DB-5 | SE-30 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.20 | |
| Phase thickness (μm) | 0.15 | 0.25 | 0.25 | 1.0 | |
| Program | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min) | 40C(1min) => 9C/min => 130C => 2C/min => 230C | not specified | not specified |
| I | 1250. | 1258. | 1242. | 1234. | 1240. |
| Reference | Tognolini, Barocelli, et al., 2006 | Alissandrakis, Kibaris, et al., 2005 | Hamm, Bleton, et al., 2005 | Vinogradov, 2004 | Rapior, Breheret, 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 | HP-1 | CP Sil 5 CB | RSL-150 | SE-54 |
| Column length (m) | 30. | 50. | 50. | 60. | |
| Carrier gas | N2 | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.32 | 0.32 | 0.32 | |
| Phase thickness (μm) | 1.0 | 0.52 | 0.25 | ||
| Program | not specified | 40C => 2C/min => 130C => 4C/min => 250C | 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C | 30c (1.5min) => 20C/min => 55C => 6C/min => 200C(10min) | not specified |
| I | 1240. | 1211. | 1224. | 1218. | 1263. |
| Reference | Rapior, Breheret, et al., 2002 | Teai, Claude-Lafontaine, et al., 2001 | Guyot, Scheirman, et al., 1999 | Buchbauer, Nikiforov, et al., 1994 | Blank, Sen, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | SE-54 | SE-54 | OV-101 | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. |
| Column length (m) | 30. | 30. | 30. | 50. | |
| Carrier gas | He | He | Hydrogen | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.3 | 0.3 | ||
| Program | not specified | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 230C(10min) | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 230C(10min) | not specified | not specified |
| I | 1213. | 1263. | 1263. | 1234. | 1238. |
| Reference | Marlatt, Ho, et al., 1992 | Blank, Fischer, et al., 1989 | Blank, Fischer, et al., 1989 | Shibamoto, 1987 | Waggott and Davies, 1984 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Other |
|---|---|---|
| Active phase | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | Methyl Silicone |
| Column length (m) | 50. | |
| Carrier gas | Hydrogen | |
| Substrate | ||
| Column diameter (mm) | 0.32 | |
| Phase thickness (μm) | ||
| Program | not specified | not specified |
| I | 1240. | 1246. |
| Reference | Waggott and Davies, 1984 | Ardrey and Moffat, 1981 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, 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]
de Simon, Estruelas, et al., 2009
de Simon, B.F.; Estruelas, E.; Munoz, A.M.; Cadahia, E.; Sanz, M.,
Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage,
J. Agric. Food Chem., 2009, 57, 8, 3217-3227, https://doi.org/10.1021/jf803463h
. [all data]
Nivinsliene, Butkiene, et al., 2007
Nivinsliene, O.; Butkiene, R.; Gudalevic, A.; Mockute, D.; Meskauskiene, V.; Grigaliunaite, B.,
Influence of urban environment on chemical composition of Tilia cordata essential oil,
Chemija, 2007, 18, 1, 44-49. [all data]
Santos, Santiago, et al., 2007
Santos, H.S.; Santiago, G.M.P.; de Oliveira, J.P.P.; Arriaga, A.M.C.; Marques, D.D.; Lemos, T.L.G.,
Chemical composition and larvicidal activity against Aedes aegypti of essential oils from Croton zehntneri,
Natural Product Communications, 2007, 2, 12, 1233-1236. [all data]
Ebrahimi and Hadjmohammadi, 2006
Ebrahimi, P.; Hadjmohammadi, M.R.,
Simultaneous modeling of the Kovats retention indices on phenyl OV stationary phases with different polarity using MLR and ANN,
QSAR Comb. Sci., 2006, 25, 10, 836-845, https://doi.org/10.1002/qsar.200530145
. [all data]
Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
. [all data]
Alissandrakis, Kibaris, et al., 2005
Alissandrakis, E.; Kibaris, A.C.; Tarantilis, P.A.; Harizanis, P.C.; Polissiou, M.,
Flavour compounds of Greek cotton honey,
J. Sci. Food Agric., 2005, 85, 9, 1444-1452, https://doi.org/10.1002/jsfa.2124
. [all data]
Hamm, Bleton, et al., 2005
Hamm, S.; Bleton, J.; Connan, J.; Tchapla, A.,
A chemical investigation by headspace SPME and GC-MS of volatile and semi-volatile terpenes in various olibanum samples,
Phytochemistry, 2005, 66, 12, 1499-1514, https://doi.org/10.1016/j.phytochem.2005.04.025
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Rapior, Breheret, et al., 2002
Rapior, S.; Breheret, S.; Talou T.; Pelissier, Y.; Bessiere, J.-M.,
The anise-like odor of Clitocybe odora, Lentinellus cochleatus and Agaricus essettei,
Mycologia, 2002, 94, 3, 373-376, https://doi.org/10.2307/3761770
. [all data]
Teai, Claude-Lafontaine, et al., 2001
Teai, T.; Claude-Lafontaine, A.; Schippa, C.; Cozzolino, F.,
Volatile compounds in fresh pulp of pineapple (Ananas comosus [L.] Merr.) from French Polynesia,
J. Essent. Oil Res., 2001, 13, 5, 314-318, https://doi.org/10.1080/10412905.2001.9712222
. [all data]
Guyot, Scheirman, et al., 1999
Guyot, C.; Scheirman, V.; Collin, S.,
Floral origin markers of heather honeys: Calluna vulgaris and Erica arborea,
Food Chem., 1999, 64, 1, 3-11, https://doi.org/10.1016/S0308-8146(98)00122-8
. [all data]
Buchbauer, Nikiforov, et al., 1994
Buchbauer, G.; Nikiforov, A.; Remberg, B.,
Headspace constituents of opium,
Planta Medica, 1994, 60, 2, 181-183, https://doi.org/10.1055/s-2006-959447
. [all data]
Blank, Sen, et al., 1992
Blank, I.; Sen, A.; Grosch, W.,
Potent odorants of the roasted powder and brew of Arabica coffee,
Z. Lebensm. Unters Forsch., 1992, 195, 3, 239-245, https://doi.org/10.1007/BF01202802
. [all data]
Marlatt, Ho, et al., 1992
Marlatt, C.; Ho, C.-T.; Chien, M.,
Studies of aroma constituents bound as glycosides in tomato,
J. Agric. Food Chem., 1992, 40, 2, 249-252, https://doi.org/10.1021/jf00014a016
. [all data]
Blank, Fischer, et al., 1989
Blank, I.; Fischer, K.-H.; Grosch, W.,
Intensive neutral odourants of linden honey,
Z. Lebensm. Unters. Forsch., 1989, 189, 5, 426-433, https://doi.org/10.1007/BF01028316
. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.
© 2026 by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Copyright for NIST Standard Reference Data is governed by the Standard Reference Data Act.
