1,5-Heptadien-4-ol, 3,3,6-trimethyl-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChI: InChI=1S/C10H18O/c1-6-10(4,5)9(11)7-8(2)3/h6-7,9,11H,1H2,2-5H3
- IUPAC Standard InChIKey: WPPVSYVQAKQNJK-UHFFFAOYSA-N
- CAS Registry Number: 27644-04-8
- 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. - Other names: 3,3,6-Trimethyl-1,5-heptadien-4-ol; 2,5,5-trimethylhepta-2,6-dien-4-ol; Artemisia alcohol; 3,3,6-Trimethylhepta-1,5-dien-4-ol; (.+/-.)-Artemisia alcohol; 57590-19-9
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- 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 | RTX-1 | RTX-1 | OV-1 | DB-5 |
| Column length (m) | 60. | 60. | 60. | 30. | 60. |
| Carrier gas | Helium | Helium | Helium | Helium | Nitrogen |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.22 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 60. | 40. | 60. |
| Tend (C) | 250. | 230. | 230. | 300. | 250. |
| Heat rate (K/min) | 3. | 2. | 2. | 4. | 5. |
| Initial hold (min) | 1. | 2. | |||
| Final hold (min) | 20. | 30. | 30. | 10. | 10. |
| I | 1084. | 1069. | 1073. | 1070. | 1087. |
| Reference | Sardashti, Valizadeh, et al., 2013 | Museli, Pau, et al., 2009 | Museli, Pau, et al., 2009 | Nibret and Wink, 2009 | Mosayebi, Amin, et al., 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | DB-5 | DB-5 | HP-1 | Methyl Silicone |
| Column length (m) | 30. | 30. | 30. | 50. | 25. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.33 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 60. | 90. |
| Tend (C) | 280. | 210. | 240. | 250. | 220. |
| Heat rate (K/min) | 3. | 30. | 4. | 2. | 7. |
| Initial hold (min) | 3. | 2. | |||
| Final hold (min) | 40. | ||||
| I | 1083. | 1081. | 1081. | 1069. | 1076. |
| Reference | Basta, Pavlovic, et al., 2007 | Ghasemi, Yamini, et al., 2007 | Sefidkon, Abbasi, et al., 2007 | Filippi, Lanfranchi, et al., 2006 | Kitchlu, Bakshi, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-30 | DB-5 | RSL-200 | DB-5 | BP-1 |
| Column length (m) | 30. | 50. | 30. | 30. | 50. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.3 | 0.25 | 0.32 | 0.22 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 90. | 60. | 40. | 60. | 60. |
| Tend (C) | 220. | 240. | 280. | 240. | 220. |
| Heat rate (K/min) | 7. | 2. | 6. | 3. | 2. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 10. | 20. | |||
| I | 1068. | 1093. | 1084. | 1083. | 1066. |
| Reference | Ahuja, Bakshi, et al., 2005 | Chagonda and Chalchat, 2005 | Jirovetz, Buchbauer, et al., 2005 | Khayyat and Karimi, 2005 | Blanc, Muselli, 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 | RSL-200 | NB-30 | BP-1 | DB-5MS |
| Column length (m) | 30. | 30. | 50. | 25. | 30. |
| Carrier gas | He | H2 | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.50 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 35. | 40. | 50. | 60. | 60. |
| Tend (C) | 220. | 280. | 250. | 220. | 240. |
| Heat rate (K/min) | 2.5 | 6. | 2. | 5. | 3. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 6. | 10. | 10. | ||
| I | 1084. | 1084. | 1074. | 1076. | 1070. |
| Reference | Rohloff, Mordal, et al., 2004 | Jirovetz, Buchbauer, et al., 2003 | Raal, Arak, et al., 2003 | Das, Ram, et al., 2002 | Cherchi, Deidda, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-5 | DB-5 | OV-1 | DB-1 |
| Column length (m) | 30. | 30. | 60. | 25. | 50. |
| Carrier gas | N2 | He | Hydrogen or helium (He2 wrote in original paper) | Hydrogen | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.30 | 0.30 | 0.25 |
| Tstart (C) | 80. | 60. | 60. | 50. | 70. |
| Tend (C) | 225. | 240. | 285. | 200. | 240. |
| Heat rate (K/min) | 4. | 3. | 4.3 | 3. | 4. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | 10. | ||||
| I | 1065. | 1084. | 1083. | 1065. | 1064. |
| Reference | Palá-Paúl, Pérez-Alonso, et al., 2001 | Tellez M., Estell R., et al., 2001 | Simic, Andjelkovic, et al., 2000 | Bicchi, Binello, et al., 1999 | Palá-Paúl, Pérez-Alonso, et al., 1999 |
| 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 | Helium |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. |
| Tend (C) | 240. | 240. |
| Heat rate (K/min) | 3. | 3. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1084. | 1083. |
| Reference | Tellez, Canel, et al., 1999 | Tellez, Estell, et al., 1997 |
| Comment | 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.
Sardashti, Valizadeh, et al., 2013
Sardashti, A.R.; Valizadeh, J.; Adhami, Y.,
Variations in the essential oil composition of Peroskia abrotonolides of different growth stage in Baluchestan,
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Museli, Pau, et al., 2009
Museli, A.; Pau, M.; Desjobert, J.-M.; Foddai, M.; Usai, M.; Costa, J.,
Volatile constituents of Achllea ligustica All. by HS-SPME/GC/GC-MS. Comparison with essential oils obtained by hydrodistillation from Corsica and Sardinia,
Chromatographia, 2009, 69, 5/6, 575-585, https://doi.org/10.1365/s10337-008-0939-1
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Nibret and Wink, 2009
Nibret, E.; Wink, M.,
Volatile components of four Ethiopian Artemisia species extracts and their in vitro antipatrypanosomal and cytotoxic activities,
Phytomedicine, 2009, 00, 0, 000-000. [all data]
Mosayebi, Amin, et al., 2008
Mosayebi, M.; Amin, G.; Arzani, H.; Azarnivand, H.; Maleki, M.; Shafaghat, A.,
Effect of habitat on essential oil of Achillea filipendula L. in Iran,
Asian J. Plant Sci., 2008, 7, 8, 779-781, https://doi.org/10.3923/ajps.2008.779.781
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Basta, Pavlovic, et al., 2007
Basta, A.; Pavlovic, M.; Couladis, M.; Tzakou, O.,
Essential oil composition of the flowerheads of Chrysanthemum coronarium L. from Greece,
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Ghasemi, Yamini, et al., 2007
Ghasemi, E.; Yamini, Y.; Bahramifar, N.; Sefidkon, F.,
Comparative analysis of the oil and supercritical CO2 extract of Artemisia sieberi,
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Sefidkon, Abbasi, et al., 2007
Sefidkon, F.; Abbasi, K.; Jamzad, Z.; Ahmadi, S.,
The effect of distillation methods and stage of plant growth on the essential oil content and composition of Satureja rechingeri Jamzad,
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Filippi, Lanfranchi, et al., 2006
Filippi, J.-J.; Lanfranchi, D.-A.; Prado, S.; Baldovini, N.; Meierhenrich, U.J.,
Composition, Enantiomeric Distribution, and Antibacterial Activity of the Essential Oil of Achillea ligustica All. from Corsica,
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Kitchlu, Bakshi, et al., 2006
Kitchlu, S.; Bakshi, S.K.; Kaul, M.K.; Bhan, M.K.; Thapa, R.K.; Agarwal, S.G.,
Tanacetum gracile Hook. f T. A new source of lavandulol from Ladakh Himalaya (India),
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Ahuja, Bakshi, et al., 2005
Ahuja, A.; Bakshi, S.K.; Sharma, S.K.; Thappa, R.K.; Agarwal, S.G.; Kichlu, S.K.; Paul, R.; Kaul, M.K.,
Production of volatile terpenes by proliferating shoots and micropropagated plants of Santolina chamaecyparissus L. (cotton lavender),
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Chagonda and Chalchat, 2005
Chagonda, L.S.; Chalchat, J.-C.,
The essential oil of wild and cultivated Hoslundia opposita Vahl. from Zimbabwe,
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Jirovetz, Buchbauer, et al., 2005
Jirovetz, L.; Buchbauer, G.; Stoyanova, A.; Georgiev, E.V.; Damianova, S.T.,
Composition, quality control and antimicrobial activity of the essential oil of cumin (Cuminum cyminumL.) seeds from Bulgaria that had been stored for up to 36 years,
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Khayyat and Karimi, 2005
Khayyat, M.H.; Karimi, H.,
Composition of the volatile oils of three different species of Artemisia,
Iranian Journal of Pharmaceutical Sciences, 2005, 1, 1, 29-32. [all data]
Blanc, Muselli, et al., 2004
Blanc, M.-C.; Muselli, A.; Bradesi, P.; Casanova, J.,
Chemical composition and variability of the essential oil of Inula graveolens from Corsica,
Flavour Fragr. J., 2004, 19, 4, 314-319, https://doi.org/10.1002/ffj.1304
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Rohloff, Mordal, et al., 2004
Rohloff, J.; Mordal, R.; Dragland, S.,
Chemotypical variation of tansy (Tanacetum vulgare L.) from 40 different locations in Norway,
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Jirovetz, Buchbauer, et al., 2003
Jirovetz, L.; Buchbauer, G.; Stoyanova, A.S.; Georgiev, E.V.; Damianova, S.T.,
Composition, quality control, and antimicrobial activity of the essential oil of long-time stored dill (Anethum graveolens L.) seeds from Bulgaria,
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Raal, Arak, et al., 2003
Raal, A.; Arak, E.; Orav, A.; Ivask, K.,
Comparison of essential oil content of Matricaria recutita L. from different origins,
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Das, Ram, et al., 2002
Das, M.; Ram, G.; Singh, A.; Mallavarapu, G.R.; Ramesh, S.; Ram, M.; Kumar, S.,
Volatile constituents of different plant parts of Chamomilla recutita L. Rausch grown in the Indo-Gangetic plains,
Flavour Fragr. J., 2002, 17, 1, 9-12, https://doi.org/10.1002/ffj.1035
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Cherchi, Deidda, et al., 2001
Cherchi, G.; Deidda, D.; de Gioannis, B.; Marongiu, B.; Pompei, R.; Porcedda, S.,
Extraction of Santolina insularis essential oil by supercritical carbon dioxide: influence of some process parameters and biological activity,
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Palá-Paúl, Pérez-Alonso, et al., 2001
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, R.; Sanz, J.; Conejero, Fco.,
Seasonal variation in chemical constituents of Santolina rosmarinifolia L. ssp. rosmarinifolia,
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Tellez M., Estell R., et al., 2001
Tellez M.; Estell R.; Fredrickson E.; Powell J.; Wedge D.; Schrader K.; Kobaisy M.,
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Simic, Andjelkovic, et al., 2000
Simic, N.; Andjelkovic, S.; Palic, R.; Vajs, V.; Milosavljevic, S.,
Volatile constituents of Achillea serbica Nym.,
Flavour Fragr. J., 2000, 15, 3, 141-143, https://doi.org/10.1002/1099-1026(200005/06)15:3<141::AID-FFJ881>3.0.CO;2-O
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Bicchi, Binello, et al., 1999
Bicchi, C.; Binello, A.; D'Amato, A.; Rubiolo, P.,
Reliability of Van den Dool retention indices in the analysis of essential oils,
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Palá-Paúl, Pérez-Alonso, et al., 1999
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Ramos-Vázquez, P.; Gómez-Contreras, F.; Sanz, J.,
Essential oil of Santolina rosmarinifolia L. ssp. rosmarinifolia: first isolation of capillene, a diacetylene derivative,
Flavour Fragr. J., 1999, 14, 2, 131-134, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<131::AID-FFJ794>3.0.CO;2-7
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Tellez, Canel, et al., 1999
Tellez, M.R.; Canel, C.; Rimando, A.M.; Duke, S.O.,
Differential accumulation of isoprenoids in glanded and glandless Artemisia annua L,
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Tellez, Estell, et al., 1997
Tellez, M.R.; Estell, R.E.; Frederickson, E.L.; Havstad, K.M.,
Essntial oil of Flourensia cernua DC,
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. [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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