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:
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 MS | HP-5 MS | HP-5 MS | SLB-5 MS | HP-5 MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| 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. | 70. | 50. | 50. | 50. |
| Tend (C) | 220. | 290. | 280. | 250. | 240. |
| Heat rate (K/min) | 5. | 5. | 4. | 3. | 3. |
| Initial hold (min) | 10. | 2. | |||
| Final hold (min) | 10. | 10. | |||
| I | 1848. | 1847. | 1846. | 1841. | 1868. |
| Reference | Ogunwande, Flamini, et al., 2010 | Radulovic, Blagojevic, et al., 2009 | Zhao, Zeng, et al., 2009 | Lo Presti, Sciarrone, et al., 2008 | Sarikurkcu, Tepe, et al., 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-5 | HP-5MS | HP-5MS | HP-5 | DB-5 |
| Column length (m) | 20. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | He | He | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.18 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.20 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 60. | 40. | 60. |
| Tend (C) | 280. | 280. | 250. | 260. | 320. |
| Heat rate (K/min) | 4. | 3. | 2. | 4. | 10. |
| Initial hold (min) | 1. | 8. | |||
| Final hold (min) | 15. | 4. | |||
| I | 1845. | 1837. | 1836. | 1840. | 1842. |
| Reference | Skalicka-Wozniak, Los, et al., 2008 | Basta, Tzakou, et al., 2007 | Ferhat, Tigrine-Kordjani, et al., 2007 | Ristic, Krivokuca-Dokic, et al., 2007 | Smelcerovic, Spiteller, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | HP-101 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 25. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 70. | 60. | 60. |
| Tend (C) | 240. | 240. | 200. | 220. | 260. |
| Heat rate (K/min) | 5. | 5. | 3. | 4. | 4. |
| Initial hold (min) | 2. | 2. | 2. | 4. | |
| Final hold (min) | 15. | ||||
| I | 1833. | 1833. | 1837. | 1847. | 1847. |
| Reference | Gohari, Hadjiakhoondi, et al., 2006 | Gohari A.R., Hadjiakhoondi A., et al., 2006 | Mastelic, Jerkovic, et al., 2006 | Morteza-Semnani, Akbarzadeh, et al., 2006 | Morteza-Semnani, Saeedi, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | HP-5MS | DB-5 | SPB-5 | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 60. | 40. | 50. | 60. |
| Tend (C) | 260. | 280. | 260. | 250. | 280. |
| Heat rate (K/min) | 4. | 3. | 2. | 5. | 3. |
| Initial hold (min) | 5. | 3. | |||
| Final hold (min) | 20. | 15. | |||
| I | 1853. | 1824. | 1846. | 1845. | 1824. |
| Reference | Petrovic, Ristic, et al., 2006 | Pitarokili, Tzakou, et al., 2006 | Senatore, Landolfi, et al., 2006 | Stojanovic, Palic, et al., 2006 | Tzakou, Said, 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-5 | HP-5MS |
| Column length (m) | 25. | 30. | 30. | 30. | 30. |
| Carrier gas | H2 | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.52 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 60. | 60. | 60. |
| Tend (C) | 280. | 250. | 260. | 260. | 280. |
| Heat rate (K/min) | 2.5 | 10. | 5. | 5. | 3. |
| Initial hold (min) | 5. | 2. | 2. | 2. | |
| Final hold (min) | 10. | 14. | 14. | ||
| I | 1844. | 1854. | 1846. | 1847. | 1825. |
| Reference | Wang, Kong, et al., 2006 | Wang, Yang, et al., 2006 | Yayli, Gülec, et al., 2006 | Yayli, Gülec, et al., 2006 | Basta, Tzakou, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-1 | BPX5 | HP-5 | DB-5 | DB-5 |
| Column length (m) | 50. | 25. | 60. | 30. | 30. |
| Carrier gas | He | Helium | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.22 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 30. | 60. | 60. |
| Tend (C) | 250. | 320. | 260. | 240. | 220. |
| Heat rate (K/min) | 2. | 5. | 2. | 3. | 4. |
| Initial hold (min) | 5. | 2. | 5. | ||
| Final hold (min) | 60. | 28. | |||
| I | 1830. | 1847. | 1848.5 | 1836. | 1838. |
| Reference | Bendimerad and Bendiab, 2005 | Dickschat, Bode, et al., 2005 | Leffingwell and Alford, 2005 | Miyazawa, Nishiguchi, et al., 2005 | Morteza-Semnani, Akbarzadeh, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-1 | DB-5 | HP-5MS | 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 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 40. | 60. | 60. |
| Tend (C) | 220. | 265. | 260. | 280. | 280. |
| Heat rate (K/min) | 4. | 2.5 | 2. | 3. | 3. |
| Initial hold (min) | 4. | 1. | 5. | ||
| Final hold (min) | 20. | 20. | |||
| I | 1847. | 1823. | 1846. | 1846. | 1823. |
| Reference | Morteza-Semnani and Saeedi, 2005 | Sarkhail, Amin, et al., 2005 | Senatore, Apostolides Arnold, et al., 2005 | Slavkovska, Couladis, et al., 2005 | Tzakou and Constantinidis, 2005 |
| 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 | DB-1 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 60. | 50. | 40. |
| Tend (C) | 300. | 260. | 280. | 265. | 250. |
| Heat rate (K/min) | 4. | 5. | 3. | 2.5 | 2. |
| Initial hold (min) | 2. | 1. | 5. | ||
| Final hold (min) | 5. | 13. | 20. | 20. | |
| I | 1843. | 1846. | 1846. | 1823. | 1845. |
| Reference | Utsunomia, Kawata, et al., 2005 | Yayli, Yasar, et al., 2005 | Malencic, Couladis, et al., 2004 | Sarkhail, Amin, et al., 2004 | Senatore, Rigano, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-5 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 25. | 30. | 25. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 40. | 40. | 60. | 60. |
| Tend (C) | 280. | 260. | 280. | 220. | 220. |
| Heat rate (K/min) | 15. | 2. | 3. | 4. | 3. |
| Initial hold (min) | 1. | 5. | 5. | 5. | |
| Final hold (min) | 5. | ||||
| I | 1849. | 1843. | 1829. | 1845. | 1813. |
| Reference | Sasaerila, Gries, et al., 2003 | Senatore and Bruno, 2003 | Merle, Blázquez, et al., 2002 | Morteza-Semnani, Saeedi, et al., 2002 | Schwob, Bessière, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Optima-1 | RTX-1 | Optima-1 | CP Sil 5 CB | SE-54 |
| Column length (m) | 25. | 30. | 25. | 25. | 25. |
| Carrier gas | He | N2 | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.25 | 0.20 | 0.31 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.39 | |
| Tstart (C) | 50. | 60. | 50. | 60. | 35. |
| Tend (C) | 250. | 300. | 250. | 220. | 250. |
| Heat rate (K/min) | 3. | 4. | 3. | 5. | 4. |
| Initial hold (min) | 3. | 3. | 3. | ||
| Final hold (min) | |||||
| I | 1815. | 1823. | 1836. | 1833. | 1824. |
| Reference | Brun, Bessière, et al., 2001 | Kalemba, Marschall, et al., 2001 | de Beck, Bessière, et al., 2000 | Weyerstahl, Marschall, et al., 1999 | Ding, Deng, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Optima 1 | HP-1 | Ultra-2 | DB-1 | SE-54 |
| Column length (m) | 25. | 30. | 50. | 30. | 25. |
| Carrier gas | Helium | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.1 | 0.52 | 1.0 | |
| Tstart (C) | 50. | 50. | 40. | 40. | 60. |
| Tend (C) | 200. | 300. | 250. | 250. | 260. |
| Heat rate (K/min) | 3. | 5. | 4. | 3. | 6. |
| Initial hold (min) | 2. | 3. | 2. | ||
| Final hold (min) | 3. | 30. | 30. | ||
| I | 1833. | 1836. | 1850. | 1833. | 1846. |
| Reference | Fons, Rapior, et al., 1998 | Boatright and Crum, 1997 | King, Matthews, et al., 1995 | Peppard, 1992 | Bestmann, Classen, et al., 1988 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-1 |
| Column length (m) | 60. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | |
| Tstart (C) | 50. |
| Tend (C) | 250. |
| Heat rate (K/min) | 4. |
| Initial hold (min) | 0.1 |
| Final hold (min) | 5. |
| I | 1828. |
| Reference | Flath, Mon, et al., 1983 |
| Comment | 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.
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Morteza-Semnani and Saeedi, 2005
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. [all data]
Slavkovska, Couladis, et al., 2005
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Utsunomia, Kawata, et al., 2005
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. [all data]
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Sasaerila, Gries, et al., 2003
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Senatore and Bruno, 2003
Senatore, F.; Bruno, M.,
Composition of the essential oil of Pallenis spinosa (L.) Cass. (Asteraceae),
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Kalemba, Marschall, et al., 2001
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. [all data]
Peppard, 1992
Peppard, T.L.,
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. [all data]
Bestmann, Classen, et al., 1988
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. [all data]
Flath, Mon, et al., 1983
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. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
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