Fenchyl acetate
- Formula: C12H20O2
- Molecular weight: 196.2860
- IUPAC Standard InChI: InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3
- IUPAC Standard InChIKey: JUWUWIGZUVEFQB-UHFFFAOYSA-N
- CAS Registry Number: 13851-11-1
- 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: Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate; 1,3,3-Trimethyl-2-norbornanyl acetate; 2-Norbornanol, 1,3,3-trimethyl-, acetate; 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl acetate; NSC 404295; Fenchyl acetate (Isomer); 3,3-dimethyl-8,9-dinorbornan-2-yl acetate
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- Other data available:
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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 | HP-5 | HP-5 | HP-5 MS | CP Sil 5 CB | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Nitrogen | Nitrogen | Helium | N2 | N2 |
| 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 | 0.25 |
| Tstart (C) | 50. | 50. | 60. | 60. | 50. |
| Tend (C) | 280. | 280. | 200. | 300. | 280. |
| Heat rate (K/min) | 5. | 5. | 4. | 4. | 9. |
| Initial hold (min) | 1. | 1. | 3. | ||
| Final hold (min) | 1. | 1. | 20. | 3. | |
| I | 1240. | 1219. | 1232. | 1204. | 1230. |
| Reference | Bousaada, Ammar, et al., 2008 | Saidana, Mahjoub, et al., 2008 | Araque, Rojas, et al., 2007 | Baran, von Reuss, et al., 2007 | Abdelwahed, Hayder, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | DB-1 | SPB-1 | HP-5MS | SPB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | N2 | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | |
| Tstart (C) | 50. | 50. | 50. | 60. | 60. |
| Tend (C) | 280. | 265. | 250. | 280. | 200. |
| Heat rate (K/min) | 9. | 2.5 | 4. | 3. | 4. |
| Initial hold (min) | 3. | 1. | 1. | ||
| Final hold (min) | 3. | 20. | 10. | 30. | |
| I | 1232. | 1198. | 1199. | 1220. | 1225. |
| Reference | Abdelwahed, Hayder, et al., 2006 | Iranshahi, Amin, et al., 2006 | Wong, Sivasothy, et al., 2006 | Petrakis, Roussis, et al., 2005 | Gauvin, Ravaomanarivo, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-1 | DB-5 | CP Sil 5 CB | DB-1 |
| Column length (m) | 60. | 60. | 25. | 60. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 50. | 50. | 60. |
| Tend (C) | 270. | 250. | 230. | 220. |
| Heat rate (K/min) | 4. | 3. | 3. | 3. |
| Initial hold (min) | 5. | |||
| Final hold (min) | ||||
| I | 1211. | 1220. | 1203. | 1209. |
| Reference | Mirza, Nik, et al., 2003 | Rousis, Papadogianni, et al., 2001 | Oyedeji, Olawore, et al., 1999 | Werkhoff and Güntert, 1997 |
| Comment | MSDC-RI | 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.
Bousaada, Ammar, et al., 2008
Bousaada, O.; Ammar, S.; Saidana, D.; Chriaa, J.; Chraif, I.; Daami, M.; Helal, A.N.; Mighri, Z.,
Chemical composition and antimicrobial activity of volatile components from capitula and aerial parts of Rhaponticum acaule DC growing wild in Tunisia,
Microbiol. Res., 2008, 163, 1, 87-95, https://doi.org/10.1016/j.micres.2007.02.010
. [all data]
Saidana, Mahjoub, et al., 2008
Saidana, D.; Mahjoub, M.A.; Boussaada, O.; Chriaa, J.; Cheraif, I.; Daami, M.; Mighri, Z.; Helal, A.N.,
Chemical composition and antimicrobial activity of volatile compounds of Tamarix boveana (Tamaricaceae),
Microbiol. Res., 2008, 163, 4, 445-455, https://doi.org/10.1016/j.micres.2006.07.009
. [all data]
Araque, Rojas, et al., 2007
Araque, M.; Rojas, L.B.; Usubillaga, A.,
Antibacterial activity of essential oil of Foeniculum vulgare miller againts multiresistant gram-negative bacilli from nosocomial infections,
Ciencia, 2007, 15, 3, 366-370. [all data]
Baran, von Reuss, et al., 2007
Baran, S.; von Reuss, S.H.; König, W.A.; Kalemba, D.,
Composition of the essential oil of Abies koreana Wils.,
Flavour Fragr. J., 2007, 22, 1, 78-83, https://doi.org/10.1002/ffj.1762
. [all data]
Abdelwahed, Hayder, et al., 2006
Abdelwahed, A.; Hayder, N.; Kilani, S.; Mahmoud, A.; Chibani, J.; Hammami, M.; Chekir-Ghedira, L.; Ghedira, K.,
Chemical composition and antimicrobial activity of essential oils from Tunisian Pituranthos tortuosus (Coss.) Maire,
Flavour Fragr. J., 2006, 21, 1, 129-133, https://doi.org/10.1002/ffj.1542
. [all data]
Iranshahi, Amin, et al., 2006
Iranshahi, M.; Amin, G.; Sourmaghi, M.S.; Shafiee, A.; Hadjiakhoondi, A.,
Sulphur-containing compounds in the essential oil of the root of Ferula persica Willd. var. persica,
Flavour Fragr. J., 2006, 21, 2, 260-261, https://doi.org/10.1002/ffj.1574
. [all data]
Wong, Sivasothy, et al., 2006
Wong, K.C.; Sivasothy, Y.; Boey, P.L.,
Essential oil of Elettariopsis elan C.K. Lim,
Flavour Fragr. J., 2006, 21, 3, 562-564, https://doi.org/10.1002/ffj.1654
. [all data]
Petrakis, Roussis, et al., 2005
Petrakis, P.V.; Roussis, V.; Papadimitriou, D.; Vagias, C.; Tsitsimpikou, C.,
The effect of terpenoid extracts from 15 pine species on the feeding behavioural sequence of the late instars of the pine processionary caterpillar Thaumetopoea pityocampa,
Behav. Processes, 2005, 69, 3, 303-322, https://doi.org/10.1016/j.beproc.2004.12.008
. [all data]
Gauvin, Ravaomanarivo, et al., 2004
Gauvin, A.; Ravaomanarivo, H.; Smadja, J.,
Comparative analysis by gas chromatography?mass spectrometry of the essential oils from bark and leaves of Cedrelopsis grevei Baill, an aromatic and medicinal plant from Madagascar,
J. Chromatogr. A, 2004, 1029, 1-2, 279-282, https://doi.org/10.1016/j.chroma.2003.12.012
. [all data]
Mirza, Nik, et al., 2003
Mirza, M.; Nik, Z.B.; Dini, M.,
Chemical composition of the essential oils of astrodaucus orientalis (L.) Drude leaves and seeds,
Flavour Fragr. J., 2003, 18, 3, 205-206, https://doi.org/10.1002/ffj.1184
. [all data]
Rousis, Papadogianni, et al., 2001
Rousis, V.; Papadogianni, K.; Vagias, C.; Harvala, C.; Petrakis, P.V.; Ortiz, A.,
Volatile constituents of three Pinus species grown in Greece,
J. Essent. Oil Res., 2001, 13, 2, 118-121, https://doi.org/10.1080/10412905.2001.9699632
. [all data]
Oyedeji, Olawore, et al., 1999
Oyedeji, A.O.; Olawore, O.N.; Ekundayo, O.; Koenig, W.A.,
Volatile leaf oil constituents of three Eucalyptus species from Nigeria,
Flavour Fragr. J., 1999, 14, 4, 241-244, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<241::AID-FFJ820>3.0.CO;2-Y
. [all data]
Werkhoff and Güntert, 1997
Werkhoff, P.; Güntert, M.,
Identification of some ester compounds in bourbon vanilla beans,
Lebensm. Wiss. Technol., 1997, 30, 4, 429-431, https://doi.org/10.1006/fstl.1996.0194
. [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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