7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChIKey: RFFOTVCVTJUTAD-UHFFFAOYSA-N
- CAS Registry Number: 470-67-7
- 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: p-Menthane, 1,4-epoxy; Isocineole; 1,4-Cineol; 1,4-Cineole; 1,4-Epoxy-p-menthane; 7-Oxabicyclo(2.2.1)heptane, 1-isopropyl-4-methyl-; 1-methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane
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- Other data available:
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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 | CP-Sil 5 CB | DB-5 | DB-1 | ZB-5 | DB-1 |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | Nitrogen | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.26 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 45. | 45. | 30. | 60. | 50. |
Tend (C) | 280. | 250. | 210. | 220. | 250. |
Heat rate (K/min) | 3. | 3. | 5. | 4. | 4. |
Initial hold (min) | 3. | 5. | 5. | ||
Final hold (min) | 22. | 5. | 20. | ||
I | 1006. | 1016. | 1010. | 1014. | 1016. |
Reference | Mothana, Hasson, et al., 2011 | Porto, Decorti, et al., 2009 | Kumazawa, Itobe, et al., 2008 | Mohottalage, Tabacchi, et al., 2007 | Khajeh, Yamini, 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 | SE-30 | HP-5 | RSL-200 | DB-1 |
Column length (m) | 30. | 50. | 30. | 60. | 60. |
Carrier gas | He | He | N2 | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.50 |
Tstart (C) | 60. | 70. | 60. | 40. | 50. |
Tend (C) | 240. | 240. | 220. | 250. | 250. |
Heat rate (K/min) | 3. | 4. | 5. | 6. | 8. |
Initial hold (min) | 10. | 1. | |||
Final hold (min) | 6. | ||||
I | 1014. | 1017. | 1018. | 1009. | 1006. |
Reference | Tellez, Khan, et al., 2004 | Iñigo, Palá-Paúl, et al., 2002 | Gallori, Flamini, et al., 2001 | Jirovetz, Puschmann, et al., 2000 | Sagrero-Nieves and Bartley, 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-1 | DB-1 | OV-101 | OV-101 |
Column length (m) | 60. | 60. | 60. | 50. | 50. |
Carrier gas | He | He | He | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 50. | 70. | 70. | 80. | 80. |
Tend (C) | 250. | 270. | 270. | 200. | 200. |
Heat rate (K/min) | 2.5 | 2.5 | 2.5 | 2. | 2. |
Initial hold (min) | 5. | 5. | 5. | ||
Final hold (min) | |||||
I | 1008. | 1009. | 1009. | 1010. | 1010. |
Reference | Stashenko, Puertas, et al., 1996 | Tirado, Stashenko, et al., 1995 | Tirado, Stashenko, et al., 1995 | Yang and Sugisawa, 1990 | Yang and Sugisawa, 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | BP-1 | SE-30+Igepal | SE-30+Igepal |
Column length (m) | 50. | 100. | 100. |
Carrier gas | H2 | ||
Substrate | |||
Column diameter (mm) | 0.30 | 0.25 | 0.25 |
Phase thickness (μm) | |||
Tstart (C) | 40. | 70. | 70. |
Tend (C) | 250. | 170. | 170. |
Heat rate (K/min) | 10. | 1. | 1. |
Initial hold (min) | 1. | ||
Final hold (min) | |||
I | 1006. | 1018. | 1023. |
Reference | Brophy, Davies, et al., 1989 | Shibamoto and Jennings, 1977 | Shibamoto and Jennings, 1977 |
Comment | MSDC-RI | 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.
Mothana, Hasson, et al., 2011
Mothana, R.A.A.; Hasson, S.S.; Schultze, W.; Mowitz, A.; Lindequist, U.,
Phytochemical composition and in vitro antimicrobial and antioxidant activities of essential oils of three endemic Soqotraen Boswellia species,
Food Chem., 2011, 126, 3, 1149-1154, https://doi.org/10.1016/j.foodchem.2010.11.150
. [all data]
Porto, Decorti, et al., 2009
Porto, C.Da.; Decorti, D.; Kikic, I.,
Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: comparison of three different extraction methods,
Food Chem., 2009, 112, 4, 1072-1078, https://doi.org/10.1016/j.foodchem.2008.07.015
. [all data]
Kumazawa, Itobe, et al., 2008
Kumazawa, K.; Itobe, T.; Nishimura, O.; Hamaguchi, T.,
A new approach to estimate the in-mouth release characteristics of odorants in chewing gum,
Food Science and Technology Research, 2008, 14, 3, 269-276, https://doi.org/10.3136/fstr.14.269
. [all data]
Mohottalage, Tabacchi, et al., 2007
Mohottalage, S.; Tabacchi, R.; Guerin, P.M.,
Components from Sri Lankan Piper betle L. leaf oil and their analogues showing toxicity against the housefly, Musca domestica,
Flavour Fragr. J., 2007, 22, 2, 130-138, https://doi.org/10.1002/ffj.1770
. [all data]
Khajeh, Yamini, et al., 2005
Khajeh, M.; Yamini, Y.; Bahramifar, N.; Sefidkon, F.; Reza Pirmoradei, M.,
Comparison of essential oils compositions of Ferula assa-foetida obtained by supercritical carbon dioxide extraction and hydrodistillation methods,
Food Chem., 2005, 91, 4, 639-644, https://doi.org/10.1016/j.foodchem.2004.06.033
. [all data]
Tellez, Khan, et al., 2004
Tellez, M.R.; Khan, I.A.; Schaneberg, B.T.; Crockett, S.L.; Rimando, A.M.; Kobaisy, M.,
Steam distillation-solid-phase microextraction for the detection of Ephedra sinica in herbal preparations,
J. Chromatogr. A, 2004, 1025, 1, 51-56, https://doi.org/10.1016/S0021-9673(03)01035-5
. [all data]
Iñigo, Palá-Paúl, et al., 2002
Iñigo, A.; Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.,
Essential oil composition from the aerial parts of Haplophyllum linifolium (L.) G. Don fil.,
Botanica Complutensis, 2002, 26, 79-83. [all data]
Gallori, Flamini, et al., 2001
Gallori, S.; Flamini, G.; Bilia, A.R.; Morelli, I.; Landini, A.; Vincieri, F.F.,
Chemical composition of some traditional herbal drug preparations: essential oil and aromatic water of costmary (Balsamita suaveolens Pers.),
J. Agric. Food Chem., 2001, 49, 12, 5907-5910, https://doi.org/10.1021/jf0107656
. [all data]
Jirovetz, Puschmann, et al., 2000
Jirovetz, L.; Puschmann, C.; Stojanova, A.; Metodiev, S.; Buchbauer, G.,
Analysis of the essential oil volatiles of Douglas fir (Pseudotsuga menziesii) from Bulgaria,
Flavour Fragr. J., 2000, 15, 6, 434-437, https://doi.org/10.1002/1099-1026(200011/12)15:6<434::AID-FFJ935>3.0.CO;2-0
. [all data]
Sagrero-Nieves and Bartley, 1996
Sagrero-Nieves, L.; Bartley, J.P.,
Volatile components from the leaves of heterotheca inuloides Cass.,
Flavour Fragr. J., 1996, 11, 1, 49-51, https://doi.org/10.1002/(SICI)1099-1026(199601)11:1<49::AID-FFJ538>3.0.CO;2-J
. [all data]
Stashenko, Puertas, et al., 1996
Stashenko, E.E.; Puertas, M.A.; Combariza, M.Y.,
Volatile secondary metabolites from Spilanthes americana obtained by simultaneous steam distillation--solvent extraction and supercritical fluid extraction,
J. Chromatogr. A, 1996, 752, 1-2, 223-232, https://doi.org/10.1016/S0021-9673(96)00480-3
. [all data]
Tirado, Stashenko, et al., 1995
Tirado, C.B.; Stashenko, E.E.; Combariza, M.Y.; Martinez, J.R.,
Comparative study of Colombian citrus oils by high-resolution gas chromatography and gas chromatography-mass spectrometry,
J. Chromatogr. A, 1995, 697, 1-2, 501-513, https://doi.org/10.1016/0021-9673(94)00955-9
. [all data]
Yang and Sugisawa, 1990
Yang, R.; Sugisawa, H.,
Citrus Suachi Hort. ex Shirai. Volatile components in Sudachi (Citrus Sudachi Hort. ex Shirai) juice,
Nippon Shokuhin Kogyo Gakkaishi, 1990, 37, 12, 946-952, https://doi.org/10.3136/nskkk1962.37.12_946
. [all data]
Brophy, Davies, et al., 1989
Brophy, J.J.; Davies, N.W.; Southwell, I.A.; Stiff, I.A.; Williams, L.R.,
Gas chromatographic quality control for oil of Melaleuca terpinen-4-ol type (Australian tea tree),
J. Agric. Food Chem., 1989, 37, 5, 1330-1335, https://doi.org/10.1021/jf00089a027
. [all data]
Shibamoto and Jennings, 1977
Shibamoto, T.; Jennings, W.G.,
The volatile composition of the leaf oil of California Juniper (J. californica Carr.)
in Proceedings of VII International Congress of Essential Oils, October 7-11, 1977, Kyoto, Japan, 1977, 413-418. [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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