1,5-Heptadien-4-ol, 3,3,6-trimethyl-
- Formula: C10H18O
- Molecular weight: 154.2493
- 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,
Middle-East J. Sci. Res., 2013, 13, 6, 781-784. [all data]
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
. [all data]
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,
Flavour Fragr. J., 2007, 22, 3, 197-200, https://doi.org/10.1002/ffj.1781
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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,
Food Chem., 2007, 100, 3, 1054-1058, https://doi.org/10.1016/j.foodchem.2005.11.016
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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,
J. Agric. Food Chem., 2006, 54, 17, 6308-6313, https://doi.org/10.1021/jf060752y
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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),
Flavour Fragr. J., 2006, 21, 4, 690-692, https://doi.org/10.1002/ffj.1674
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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),
Flavour Fragr. J., 2005, 20, 4, 403-406, https://doi.org/10.1002/ffj.1440
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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,
Flavour Fragr. J., 2005, 20, 2, 193-195, https://doi.org/10.1002/ffj.1402
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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,
Int. J. Food Sci. Technol., 2005, 40, 3, 305-310, https://doi.org/10.1111/j.1365-2621.2004.00915.x
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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,
J. Agric. Food Chem., 2004, 52, 6, 1742-1748, https://doi.org/10.1021/jf0352430
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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,
J. Agric. Food Chem., 2003, 51, 13, 3854-3857, https://doi.org/10.1021/jf030004y
. [all data]
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,
Ars Pharm., 2003, 44, 2, 159-165, retrieved from http://www.ugr.es/~ars/abstract/44-159-03.pdf. [all data]
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
. [all data]
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,
Flavour Fragr. J., 2001, 16, 1, 35-43, https://doi.org/10.1002/1099-1026(200101/02)16:1<35::AID-FFJ942>3.0.CO;2-Y
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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,
Biochem. Syst. Ecol., 2001, 29, 7, 663-672, https://doi.org/10.1016/S0305-1978(01)00032-1
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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.,
Extracts of Flourensia cernua (L): Volatile constituents and antifungal, antialgal, and antitermite bioactivities,
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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,
J. Chromatogr. Sci., 1999, 37, 8, 288-294, https://doi.org/10.1093/chromsci/37.8.288
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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,
J. Essent. Oil Res., 1997, 9, 6, 619-624, https://doi.org/10.1080/10412905.1997.9700799
. [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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