Anethole
- Formula: C10H12O
- Molecular weight: 148.2017
- IUPAC Standard InChI: InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
- IUPAC Standard InChIKey: RUVINXPYWBROJD-ONEGZZNKSA-N
- CAS Registry Number: 4180-23-8
- 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: trans-Anethole; (E)-Anethole; trans-Anethol; (E)-Anethol; p-Propenyl anisole; Anethole (E); Anethole, trans-; (E)-1-Methoxy-4(1-propenyl)benzene; E-trans-Anethole; (E)-Anetole
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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 | HP-5MS | DB-1 | CP Sil 5 CB | DB-5 | CP Sil 5 CB |
| Column length (m) | 30. | 60. | 30. | 30. | 25. |
| Carrier gas | He | N2 | N2 | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 50. | 40. | 80. |
| Tend (C) | 250. | 250. | 200. | 230. | 270. |
| Heat rate (K/min) | 2. | 5. | 5. | 6. | 10. |
| Initial hold (min) | 8. | 1. | |||
| Final hold (min) | 30. | 10. | |||
| I | 1284. | 1295. | 1275. | 1283. | 1263. |
| Reference | Benkaci-Ali, Baaliouamer, et al., 2007 | Sonboli, Azizian, et al., 2007 | Andrianoelisoa H.S., Menut C., et al., 2006 | Zeller and Rychlik, 2006 | Ziegenbein, Hanssen, et al., 2006 |
| 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-1 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | N2 | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 60. | 70. | 60. |
| Tend (C) | 260. | 220. | 250. | 220. | 220. |
| Heat rate (K/min) | 2. | 5. | 4. | 3. | 5. |
| Initial hold (min) | 5. | 10. | 2. | 10. | |
| Final hold (min) | 20. | 20. | 15. | ||
| I | 1247. | 1285. | 1283. | 1256. | 1290. |
| Reference | de Feo, Urrunaga Soria, et al., 2005 | Flamini, Luigi Cioni, et al., 2005 | Pino, Mesa, et al., 2005 | Antunes, Sevinate-Pinto, et al., 2004 | Bertoli, Menichini, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | BP-1 | HP-5 | HP-5 | SPB-5 |
| Column length (m) | 30. | 50. | 30. | 30. | 30. |
| Carrier gas | N2 | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 290. | 220. | 260. | 260. | 250. |
| Heat rate (K/min) | 20. | 2. | 3. | 3. | 4. |
| Initial hold (min) | 1. | 2. | |||
| Final hold (min) | 10. | 20. | 20. | ||
| I | 1249. | 1260. | 1285. | 1283. | 1283. |
| Reference | Garland, Menary, et al., 2004 | Gonny, Bradesi, et al., 2004 | Javidnia, Miri, et al., 2004 | Javidnia, Miri, et al., 2004, 2 | Pino, Marbot, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-5 | OV-1 | DB-1 | SPB-5 | DB-1 |
| Column length (m) | 30. | 25. | 30. | 30. | 30. |
| Carrier gas | He | H2 | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.3 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 50. | 60. | 40. |
| Tend (C) | 250. | 200. | 200. | 250. | 325. |
| Heat rate (K/min) | 4. | 3. | 5. | 4. | 3. |
| Initial hold (min) | 2. | 1. | 2. | ||
| Final hold (min) | 20. | 20. | 0. | 20. | |
| I | 1282. | 1258. | 1276. | 1283. | 1252.4 |
| Reference | Pino, Marbot, et al., 2004, 2 | Bicchi, Rubiolo, et al., 2003 | Boyom, Assembe, et al., 2003 | Pino, Marbot, et al., 2003 | Sun and Stremple, 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 | HP-5 | RTX-5 MS | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 70. | 50. |
| Tend (C) | 260. | 250. | 280. | 210. | 220. |
| Heat rate (K/min) | 4. | 4. | 3. | 4. | 4. |
| Initial hold (min) | 2. | 5. | 10. | ||
| Final hold (min) | 20. | 10. | |||
| I | 1284. | 1283. | 1283. | 1288. | 1265. |
| Reference | Javidnia, Miri, et al., 2002 | Pino, Marbot, et al., 2002 | Aligiannis, Kalpoutzakis, et al., 2001 | Hudaib, Grazia Bellardi, et al., 2001 | Mirza and Sefidkon, 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | OV-1 | DB-1 | DB-1 |
| Column length (m) | 25. | 60. | 60. |
| Carrier gas | H2 | He | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.3 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 40. |
| Tend (C) | 200. | 250. | 160. |
| Heat rate (K/min) | 3. | 3.5 | 2. |
| Initial hold (min) | 1. | 5. | 3. |
| Final hold (min) | 20. | 15. | |
| I | 1259. | 1260. | 1270. |
| Reference | Bicchi, Fresia, et al., 1997 | Stashenko, Prada, et al., 1996 | Stashenko, Martinez, et al., 1995 |
| Comment | 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.
Benkaci-Ali, Baaliouamer, et al., 2007
Benkaci-Ali, F.; Baaliouamer, A.; Meklati, B.Y.; Chemat, F.,
Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation,
Flavour Fragr. J., 2007, 22, 2, 148-153, https://doi.org/10.1002/ffj.1773
. [all data]
Sonboli, Azizian, et al., 2007
Sonboli, A.; Azizian, D.; Yousefzadi, M.; Kanani, M.R.; Mehrabian, A.R.,
Volatile constituents and antimicrobial activity of the essential oil of Tetrataenium lasiopetalum (Apiaceae) from Iran,
Flavour Fragr. J., 2007, 22, 2, 119-122, https://doi.org/10.1002/ffj.1767
. [all data]
Andrianoelisoa H.S., Menut C., et al., 2006
Andrianoelisoa H.S.; Menut C.; de Chatelperron P.C.; Saracco J.; Ramanoelina P.; Danthu P.,
Intraspecific chemical variability and highlighting of chemotypes of leaf essential oils from Ravensara aromatica Sonnerat a tree endemic to Madagascar,
Flavour Fragr. J., 2006, 21, 5, 833-838, https://doi.org/10.1002/ffj.1735
. [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]
Ziegenbein, Hanssen, et al., 2006
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A.,
Secondary metabolites from Ganoderma lucidum and Spongiporus leucomallellus,
Phytochemistry, 2006, 67, 2, 202-211, https://doi.org/10.1016/j.phytochem.2005.10.025
. [all data]
de Feo, Urrunaga Soria, et al., 2005
de Feo, V.; Urrunaga Soria, E.; Urrunaga Soria, R.; Pizza, C.,
Composition and in vitro toxicity of the essential oil of Tagetes terniflora HBK. (Asteraceae),
Flavour Fragr. J., 2005, 20, 1, 89-92, https://doi.org/10.1002/ffj.1379
. [all data]
Flamini, Luigi Cioni, et al., 2005
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Composition of the essential oils and in vivo emission of volatiles of four Lamium species from Italy: L. purpureum, L. hybridum, L. bifidum and L. amplexicaule,
Food Chem., 2005, 91, 1, 63-68, https://doi.org/10.1016/j.foodchem.2004.05.047
. [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]
Antunes, Sevinate-Pinto, et al., 2004
Antunes, T.; Sevinate-Pinto, I.; Barroso, J.G.; Cavaleiro, C.; Salgueiro, L.R.,
Micromorphology of trichomes and composition of essential oil of Teucrium capitatum,
Flavour Fragr. J., 2004, 19, 4, 336-340, https://doi.org/10.1002/ffj.1310
. [all data]
Bertoli, Menichini, et al., 2004
Bertoli, A.; Menichini, F.; Noccioli, C.; Morelli, I.; Pistelli, L.,
Volatile constituents of different organs of Psoralea bituminosa L.,
Flavour Fragr. J., 2004, 19, 2, 166-171, https://doi.org/10.1002/ffj.1315
. [all data]
Garland, Menary, et al., 2004
Garland, S.M.; Menary, R.C.; Davies, N.W.; Oliver, G.S.,
Practical approaches to the analyses for pesticide residues in essential oils, A report for the Rural Industries Research and Development Corporation, RIRDC Publication No. 04/109, Rural Industries Research and Development Corporation, Barton, ACT, 2004. [all data]
Gonny, Bradesi, et al., 2004
Gonny, M.; Bradesi, P.; Casanova, J.,
Identification of the components of the essential oil from wild Corsican Daucus carota L. using 13C-NMR spectroscopy,
Flavour Fragr. J., 2004, 19, 5, 424-433, https://doi.org/10.1002/ffj.1330
. [all data]
Javidnia, Miri, et al., 2004
Javidnia, K.; Miri, R.; Jafari, A.; Rezai, H.,
Analysis of the volatile constituents of Nepeta macrosiphon Boiss. grown in Iran,
Flavour Fragr. J., 2004, 19, 2, 156-158, https://doi.org/10.1002/ffj.1287
. [all data]
Javidnia, Miri, et al., 2004, 2
Javidnia, K.; Miri, R.; Kamalinejad, M.; Sarkarzadeh, H.; Jamalian, A.,
Chemical composition of the essential oils of Anthemis altissima L. grown in Iran,
Flavour Fragr. J., 2004, 19, 3, 213-216, https://doi.org/10.1002/ffj.1277
. [all data]
Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Vazquez, C.,
Volatile components of tamarind (Tamarindus indica L.) grown in Cuba,
J. Essent. Oil Res., 2004, 16, 4, 318-320, https://doi.org/10.1080/10412905.2004.9698731
. [all data]
Pino, Marbot, et al., 2004, 2
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry],
Flavour Fragr. J., 2004, 19, 1, 32-35, https://doi.org/10.1002/ffj.1269
. [all data]
Bicchi, Rubiolo, et al., 2003
Bicchi, C.; Rubiolo, P.; Camargo, E.E.S.; Vilegas, W.; Gracioso, J.S.; Brito, A.R.M.S.,
Components of Turnera diffusa Willd. var. afrodisiaca (Ward) Urb. essential oil,
Flavour Fragr. J., 2003, 18, 1, 59-61, https://doi.org/10.1002/ffj.1155
. [all data]
Boyom, Assembe, et al., 2003
Boyom, F.F.; Assembe, E.Z.; Zollo, P.H.A.; Agnaniet, H.; Menut, C.; Bessière, J.M.,
Aromatic plants of tropical central Africa. Part XLII. Volatile components from Antidesma laciniatum Muell. Arg. Var. laciniatum growing in Cameroon,
Flavour Fragr. J., 2003, 18, 5, 451-453, https://doi.org/10.1002/ffj.1251
. [all data]
Pino, Marbot, et al., 2003
Pino, J.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of fruits of Garcinia dulcis Kurz. from Cuba,
Flavour Fragr. J., 2003, 18, 4, 271-274, https://doi.org/10.1002/ffj.1187
. [all data]
Sun and Stremple, 2003
Sun, G.; Stremple, P.,
Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]
Javidnia, Miri, et al., 2002
Javidnia, K.; Miri, R.; Kamalinejad, M.; Nasiri, A.,
Composition of the essential oil of Salvia mirzayanii Rech. f. Esfand from Iran,
Flavour Fragr. J., 2002, 17, 6, 465-467, https://doi.org/10.1002/ffj.1128
. [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]
Aligiannis, Kalpoutzakis, et al., 2001
Aligiannis, N.; Kalpoutzakis, E.; Chinou, I.B.; Mitaku, S.; Gikas, E.; Tsarbopoulos, A.,
Composition and antimicrobial activity of the essential oils of five taxa of Sideritis from Greece,
J. Agric. Food Chem., 2001, 49, 2, 811-815, https://doi.org/10.1021/jf001018w
. [all data]
Hudaib, Grazia Bellardi, et al., 2001
Hudaib, M.; Grazia Bellardi, M.; Rubies-Autonell, C.; Fiori, J.; Cavrini, V.,
Chromatographic (GC-MS, HPLC) and virological evaluations of Salvia sclarea infected by BBWV-I,
Farmaco, 2001, 56, 3, 219-227, https://doi.org/10.1016/S0014-827X(01)01038-2
. [all data]
Mirza and Sefidkon, 1999
Mirza, M.; Sefidkon, F.,
Essential oil composition of two Salvia species from Iran, Salvia nemorosa L. and Salvia reuterana Boiss.,
Flavour Fragr. J., 1999, 14, 4, 230-232, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<230::AID-FFJ816>3.0.CO;2-L
. [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, Prada, et al., 1996
Stashenko, E.E.; Prada, N.Q.; Martínez, J.R.,
HRGC/FID/NP and HRGC/MSD study of Colombian Ylang-Ylang (Cananga odorata) oils obtained by different extraction techniques,
J. Hi. Res. Chromatogr., 1996, 19, 6, 353-358, https://doi.org/10.1002/jhrc.1240190609
. [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]
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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