Hexahydrofarnesyl acetone
- Formula: C18H36O
- Molecular weight: 268.4778
- IUPAC Standard InChI: InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3
- IUPAC Standard InChIKey: WHWDWIHXSPCOKZ-UHFFFAOYSA-N
- CAS Registry Number: 68607-88-5
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Other names: 6,10,14-Trimethyl-2-pentadecanone; 2-Pentadecanone, 6,10,14-trimethyl-; 6,10,14-Trimethylpentadecan-2-one; Phytone; 6,10,14-trimethylpentadecanone; Perhydrofarnesyl acetone; 6,10,14-Trimethylpentadecan-2-one (hexahydrofarnesylacetone); (+/-)-Phytone; Protein hydrolyzates, soya; hydrolyzed soy protein
- Information on this page:
- Other data available:
- Options:
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 | HP-5MS | DB-5 | SPB-1 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 50. | 50. |
| Tend (C) | 280. | 280. | 250. | 250. | 250. |
| Heat rate (K/min) | 4. | 3. | 3. | 5. | 5. |
| Initial hold (min) | 5. | 3. | 3. | ||
| Final hold (min) | 10. | 15. | 15. | ||
| I | 1845. | 1847. | 1842. | 1838. | 1843. |
| Reference | Saroglou, Marin, et al., 2007 | Vagionas, Ngassapa, et al., 2007 | Yu, Liao, et al., 2007 | Blagojevic, Radulovic, et al., 2006 | Blagojevic, Radulovic, 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 | HP-5 | HP-5 | HP-5MS | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | N2 | 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. | 60. | 60. |
| Tend (C) | 220. | 260. | 260. | 280. | 250. |
| Heat rate (K/min) | 5. | 3. | 3. | 3. | 10. |
| Initial hold (min) | 10. | 2. | |||
| Final hold (min) | 10. | ||||
| I | 1843. | 1847. | 1845. | 1850. | 1842. |
| Reference | Flamini, Tebano, et al., 2006 | Javidnia, Miri, et al., 2006 | Javidnia K., Miri R., et al., 2006 | Kukic J., Petrovic S., et al., 2006 | Liu J.M., Nan P., 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 | HP-5MS | HP-5MS |
| Column length (m) | 30. | 25. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | H2 |
| 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. | 60. | 50. |
| Tend (C) | 240. | 240. | 280. | 280. | 285. |
| Heat rate (K/min) | 4. | 4. | 4. | 4. | 4.3 |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | |||||
| I | 1858. | 1849. | 1845. | 1843. | 1849. |
| Reference | Rezazadeh, Hamedani, et al., 2006 | Rezazadeh, Hamedani, et al., 2006 | Saroglou, Dorizas, et al., 2006 | Saroglou, Dorizas, et al., 2006 | Vujisic L., Vuckovic I., 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 | HP-5 | HP-5MS | HP-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| 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) | 40. | 50. | 80. | 60. | 50. |
| Tend (C) | 300. | 220. | 300. | 250. | 260. |
| Heat rate (K/min) | 4. | 3. | 4. | 10. | 10. |
| Initial hold (min) | 5. | 2. | 3. | ||
| Final hold (min) | 20. | 10. | |||
| I | 1842. | 1847. | 1845.6 | 1855. | 1846. |
| Reference | Vundac, Pfeifhofer, et al., 2006 | Xian Q., Chen H., et al., 2006 | Zhao C.X., Li, et al., 2006 | Zhao J.Y., Liu J.M., et al., 2006 | Zhao, Wang X.Y., et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP Sil 5 CB | HP-5 | HP-5 | HP-5 | DB-5 |
| Column length (m) | 25. | 30. | 30. | 30. | 30. |
| Carrier gas | He | N2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.4 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 80. | 60. | 60. | 60. | 40. |
| Tend (C) | 270. | 220. | 260. | 260. | 260. |
| Heat rate (K/min) | 10. | 5. | 3. | 3. | 2. |
| Initial hold (min) | 10. | 5. | |||
| Final hold (min) | 20. | ||||
| I | 1817. | 1843. | 1843. | 1845. | 1835. |
| Reference | Ziegenbein, Hanssen, et al., 2006 | Celik, Gokturk, et al., 2005 | Javidnia, Miri, et al., 2005 | Javidnia, Miri, et al., 2005, 2 | Senatore, Napolitano, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | HP-5MS | HP-5MS | HP-5MS | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | 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) | 80. | 80. | 80. | 60. | 60. |
| Tend (C) | 290. | 290. | 290. | 280. | 220. |
| Heat rate (K/min) | 2. | 4. | 6. | 4. | 5. |
| Initial hold (min) | 5. | 10. | |||
| Final hold (min) | |||||
| I | 1846. | 1847.9 | 1848.9 | 1845. | 1843. |
| Reference | Zhao, Liang, et al., 2005 | Zhao, Liang, et al., 2005 | Zhao, Liang, et al., 2005 | Grujic-Jovanovic, Skaltsa, et al., 2004 | Dural, Bagci, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5 | HP-5 | HP-5 | HP-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | N2 | 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 | 0.33 |
| Tstart (C) | 60. | 60. | 60. | 60. | 40. |
| Tend (C) | 240. | 220. | 280. | 280. | 260. |
| Heat rate (K/min) | 3. | 5. | 3. | 4. | 2. |
| Initial hold (min) | 10. | 5. | 5. | ||
| Final hold (min) | 20. | ||||
| I | 1843. | 1843. | 1848. | 1845. | 1847. |
| Reference | Flamini, Cioni, et al., 2003 | Flamini, Luigi Cioni, et al., 2003 | Fokialakis, Melliou, et al., 2003 | Karioti, Skaltsa, et al., 2003 | Senatore, Rigano, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | SPB-1 | HP-5MS | DB-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.20 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.20 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 70. | 60. | 60. | 60. |
| Tend (C) | 280. | 220. | 300. | 240. | 280. |
| Heat rate (K/min) | 4. | 3. | 3. | 3. | 3. |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | 15. | ||||
| I | 1845. | 1828. | 1850. | 1844. | 1845. |
| Reference | Skaltsa, Demetzos, et al., 2003 | Cavaleiro, Salgueiro, et al., 2002 | Couladis, Chinou, et al., 2002 | Flamini, Cioni, et al., 2002 | Fokialakis, Magiatis, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5MS | HP-5 | SE-54 | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 25. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.30 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 60. | 80. | 60. |
| Tend (C) | 280. | 250. | 280. | 300. | 280. |
| Heat rate (K/min) | 3. | 5. | 3. | 8. | 4. |
| Initial hold (min) | 5. | 2. | 5. | 5. | |
| Final hold (min) | 5. | ||||
| I | 1848. | 1855. | 1845. | 1848. | 1845. |
| Reference | Magiatis, Skaltsounis, et al., 2002 | Shang, Hu, et al., 2002 | Aligiannis, Kalpoutzakis, et al., 2001 | Azevedo, Zinu, et al., 2001 | Skaltsa, Mavrommati, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-54 | HP-5 | HP-5 | HP-5 | CP Sil 5 CB |
| Column length (m) | 25. | 30. | 30. | 30. | 25. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.31 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 35. | 50. | 50. | 50. | 60. |
| Tend (C) | 230. | 280. | 280. | 280. | 260. |
| Heat rate (K/min) | 4. | 4. | 4. | 4. | 5. |
| Initial hold (min) | 3. | 5. | 5. | 5. | |
| Final hold (min) | 10. | ||||
| I | 1868.81 | 1846. | 1846. | 1846. | 1835. |
| Reference | Yin, Xiu, et al., 2001 | Lazari, Skaltsa, et al., 2000 | Lazari, Skaltsa, et al., 2000, 2 | Lazari, Skaltsa, et al., 1999 | Weyerstahl, Marschall, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | SPB-1 | SE-54 | DB-5 | DB-5 |
| Column length (m) | 60. | 25. | 30. | 60. |
| Carrier gas | N2 | H2 | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.31 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 1. | ||
| Tstart (C) | 40. | 35. | 50. | 40. |
| Tend (C) | 200. | 250. | 250. | 220. |
| Heat rate (K/min) | 4. | 4. | 4. | 3. |
| Initial hold (min) | 3. | |||
| Final hold (min) | 20. | |||
| I | 1822. | 1851. | 1848. | 1846. |
| Reference | Chen, Huang, et al., 1998 | Li, Wang, et al., 1998 | Gómez, Ledbetter, et al., 1993 | Le Quere and Latrasse, 1990 |
| Comment | MSDC-RI | 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.
Saroglou, Marin, et al., 2007
Saroglou, V.; Marin, P.D.; Rancic, A.; Veljic, M.; Skaltsa, H.,
Composition and antimicrobial activity of the essential oil of six Hypericum species from Serbia,
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Vagionas, Ngassapa, et al., 2007
Vagionas, K.; Ngassapa, O.; Runyoro, D.; Graikou, K.; Gortzi, O.; Chinou, I.,
Chemical analysis of edible aromatic plants growing in Tanzania,
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Yu, Liao, et al., 2007
Yu, J.Q.; Liao, Z.X.; Cai, X.Q.; Lei, J.C.; Zou, G.L.,
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Blagojevic, Radulovic, et al., 2006
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Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A.,
A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey,
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Javidnia, Miri, et al., 2005, 2
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Chemical composition of Ferula persica Wild. essential oil from Iran,
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Senatore, Napolitano, et al., 2005
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Composition and antimicrobial activity of the essential oil of Achillea falcata L. (Asteraceae),
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Grujic-Jovanovic, Skaltsa, et al., 2004
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Composition and antibacterial activity of the essential oil of six Stachys species from Serbia,
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Dural, Bagci, et al., 2003
Dural, H.; Bagci, Y.; Ertugrul, K.; Demirelma, H.; Flamini, G.; Cioni, P.L.; Morelli, I.,
Essential oil composition of two endemic Centaurea species from Turkey, Centaurea mucronifera and Centaurea chrysantha, collected in the same habitat,
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Flamini, Cioni, et al., 2003
Flamini, G.; Cioni, P.L.; Morelli, I.; Ceccarini, L.; Andolfi, L.; Macchia, M.,
Composition of the essential oil of Medicago marina L. from the coastal dunes of Tuscany, Italy,
Flavour Fragr. J., 2003, 18, 5, 460-462, https://doi.org/10.1002/ffj.1253
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Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Variability of the essential oil of Viola etrusca,
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Fokialakis, Melliou, et al., 2003
Fokialakis, N.; Melliou, E.; Magiatis, P.; Harvala, C.; Mitaku, S.,
Composition of the steam volatiles of six Euphorbia spp. from Greece,
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Karioti, Skaltsa, et al., 2003
Karioti, A.; Skaltsa, H.; Demetzos, C.; Perdetzoglou, D.; Economakis, C.D.; Salem, A.B.,
Effect of nitrogen concentration of the nutrient solution on the volatile constituents of leaves of Salvia fruticosa Mill. in solution culture,
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. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
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