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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Kovats' 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 | PTE-5 | PTE-5 | DB-5 |
| Column length (m) | 30. | 28. | 60. | 60. | 30. |
| Carrier gas | He | He | H2 | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.39 | 0.39 | 0.25 |
| Tstart (C) | 50. | 50. | 60. | 60. | 60. |
| Tend (C) | 240. | 270. | 285. | 285. | 240. |
| Heat rate (K/min) | 3. | 5.5 | 4.3 | 4.3 | 3. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | |||||
| I | 1301. | 1264. | 1285. | 1285. | 1283. |
| Reference | Tepe, Askin Akpulat, et al., 2006 | Thangadurai, Anitha, et al., 2002 | Gudzic, Dordevic, et al., 2001 | Gudzic, Dordevic, et al., 2001 | Adams, 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-5 | DB-5 |
| Column length (m) | 30. | 30. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.26 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.33 |
| Tstart (C) | 60. | 40. |
| Tend (C) | 246. | 260. |
| Heat rate (K/min) | 3. | 2. |
| Initial hold (min) | 5. | |
| Final hold (min) | 20. | |
| I | 1284. | 1247. |
| Reference | Adams, 1999 | Senatore and de Feo, 1999 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Tepe, Askin Akpulat, et al., 2006
Tepe, B.; Askin Akpulat, H.; Sokmen, M.; Daferera, D.; Yumrutas, O.; Aydin, E.; Polissiou, M.; Sokmen, A.,
Screening of the antioxidative and antimicrobial properties of the essential oils of Pimpinella anisetum and Pimpinella flabellifolia from Turkey,
Food Chem., 2006, 97, 4, 719-724, https://doi.org/10.1016/j.foodchem.2005.05.045
. [all data]
Thangadurai, Anitha, et al., 2002
Thangadurai, D.; Anitha, S.; Pullaiah, T.; Reddy, P.N.; Ramachandraiah, O.S.,
Essential oil constituents and in vitro antimicrobial activity of Decalepis hamiltonii roots against foodborne pathogens,
J. Agric. Food Chem., 2002, 50, 11, 3147-3149, https://doi.org/10.1021/jf011541q
. [all data]
Gudzic, Dordevic, et al., 2001
Gudzic, B.; Dordevic, S.; Palic, R.; Stojanovic, G.,
Essential oils of Hypericum olympicum L. and Hypericum perforatum L.,
Flavour Fragr. J., 2001, 16, 3, 201-203, https://doi.org/10.1002/ffj.978
. [all data]
Adams, 2000
Adams, R.P.,
Systematics of Juniperus section Juniperus based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 515-528, https://doi.org/10.1016/S0305-1978(99)00089-7
. [all data]
Adams, 1999
Adams, R.P.,
Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 1999, 27, 7, 709-725, https://doi.org/10.1016/S0305-1978(99)00016-2
. [all data]
Senatore and de Feo, 1999
Senatore, F.; de Feo, V.,
Chemical composition of the essential oil from Tagetes mandonii Sch. Bip. (Asteraceae),
Flavour Fragr. J., 1999, 14, 1, 32-34, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<32::AID-FFJ772>3.0.CO;2-7
. [all data]
Notes
Go To: Top, Kovats' 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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