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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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 | RTX-1 | DB-5 | BP-1 | OV-1 | RTX-1 |
| Column length (m) | 60. | 30. | 50. | 25. | 60. |
| Carrier gas | He | N2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.32 | 0.22 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 50. | 60. |
| Tend (C) | 230. | 240. | 220. | 220. | 220. |
| Heat rate (K/min) | 2. | 3. | 2. | 3. | 2. |
| Initial hold (min) | 3. | 1. | |||
| Final hold (min) | 45. | 5. | 20. | 5. | 20. |
| I | 1207. | 1217. | 1208. | 1220. | 1208. |
| Reference | Cavalli, Tomi, et al., 2006 | Dob, Dahmane, et al., 2006 | Gonny, Cavaleiro, et al., 2006 | Rubiolo P., Matteodo M., et al., 2006 | Cozzani, Muselli, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | BP-1 | RTX-1 |
| Column length (m) | 50. | 60. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.22 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. |
| Tend (C) | 220. | 230. |
| Heat rate (K/min) | 2. | 2. |
| Initial hold (min) | ||
| Final hold (min) | 20. | 45. |
| I | 1206. | 1208. |
| Reference | Ferrari, Tomi, et al., 2005 | Cavalli, Tomi, et al., 2003 |
| Comment | 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.
Cavalli, Tomi, et al., 2006
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
Chemical variability of the essential oil of Helichrysum faradifani Sc. Ell. from Madagascar,
Flavour Fragr. J., 2006, 21, 1, 111-114, https://doi.org/10.1002/ffj.1531
. [all data]
Dob, Dahmane, et al., 2006
Dob, T.; Dahmane, D.; Chelghoum, C.,
Essential oil composition of Juniperus oxycedrus growing in Algeria,
Pharm. Biol., 2006, 44, 1, 1-6, https://doi.org/10.1080/13880200500530922
. [all data]
Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527
. [all data]
Rubiolo P., Matteodo M., et al., 2006
Rubiolo P.; Matteodo M.; Riccio G.; Ballero M.; Christen P.; Fleury-Souverain S.; Veuthey J.L.; Bicchi C.,
Analytical discrimination of poisonous and nonpoisonous chemotypes of giant fennel (Ferula communis L.) through their biologically active and volatile fractions,
J. Agric. Food Chem., 2006, 54, 20, 7556-7563, https://doi.org/10.1021/jf061592t
. [all data]
Cozzani, Muselli, et al., 2005
Cozzani, S.; Muselli, A.; Desjobert, J.-M.; Bernardini, A.-F.; Tomi, F.; Casanova, J.,
Chemical composition of essential oil of Teucrium polium subsp. capitatum (L.) from Corsica,
Flavour Fragr. J., 2005, 20, 4, 436-441, https://doi.org/10.1002/ffj.1463
. [all data]
Ferrari, Tomi, et al., 2005
Ferrari, B.; Tomi, F.; Casanova, J.,
Composition and chemical variability of Ferula communis essential oil from Corsica,
Flavour Fragr. J., 2005, 20, 2, 180-185, https://doi.org/10.1002/ffj.1405
. [all data]
Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar,
Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263
. [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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