7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChI: InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3
- 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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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 | SPB-1 | SPB-5 | CP Sil 5 CB | RTX-5 |
| Column length (m) | 30. | 25. | 30. | 50. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.4 | 0.25 |
| Tstart (C) | 60. | 35. | 60. | 60. | 45. |
| Tend (C) | 250. | 225. | 250. | 280. | 250. |
| Heat rate (K/min) | 4. | 4. | 4. | 3. | 3. |
| Initial hold (min) | 2. | 10. | 2. | 10. | 6. |
| Final hold (min) | 20. | 20. | 60. | ||
| I | 1016. | 1001. | 1016. | 1010. | 1016. |
| Reference | Pino, Mesa, et al., 2005 | Chisholm, Wilson, et al., 2003 | Pino, Marbot, et al., 2003 | Pino, Marbot, et al., 2002 | Shellie, Mondello, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-5 | SPB-1 | CP Sil 5 CB | Methyl Silicone | SPB-1 |
| Column length (m) | 30. | 15. | 50. | 50. | 60. |
| Carrier gas | He | H2 | N2 | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.13 | 0.17 | 0.25 |
| Tstart (C) | 45. | 35. | 40. | 80. | 40. |
| Tend (C) | 250. | 225. | 300. | 200. | 200. |
| Heat rate (K/min) | 3. | 6. | 4. | 2. | 4. |
| Initial hold (min) | 6. | 3. | |||
| Final hold (min) | 10. | 10. | 20. | ||
| I | 1023. | 1001. | 1006. | 1014. | 998. |
| Reference | Shellie, Mondello, et al., 2002 | Chisholm, Wilson, et al., 2001 | Pfeifhofer, 2000 | Sumathykutty, Rao, et al., 1999 | Chen, Huang, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | Methyl Silicone | DB-1 |
| Column length (m) | 25. | 60. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.2 | 0.25 |
| Phase thickness (μm) | 0.3 | 0.25 |
| Tstart (C) | 40. | 70. |
| Tend (C) | 200. | 250. |
| Heat rate (K/min) | 2. | 2.5 |
| Initial hold (min) | 5. | |
| Final hold (min) | 15. | |
| I | 1011. | 1011. |
| Reference | Píry, Príbela, et al., 1995 | Combariza, Tirado, et al., 1994 |
| Comment | 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.
Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [all data]
Chisholm, Wilson, et al., 2003
Chisholm, M.G.; Wilson, M.A.; Gaskey, G.M.,
Characterization of aroma volatiles in key lime essential oils (Cirtrus aurantifolia Swingle),
Flavour Fragr. J., 2003, 18, 2, 106-115, https://doi.org/10.1002/ffj.1172
. [all data]
Pino, Marbot, et al., 2003
Pino, J.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of fruits of Garcinia dulcis Kurz. from Cuba,
Flavour Fragr. J., 2003, 18, 4, 271-274, https://doi.org/10.1002/ffj.1187
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit,
J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i
. [all data]
Shellie, Mondello, et al., 2002
Shellie, R.; Mondello, L.; Marriott, P.; Dugo, G.,
Characterisation of lavender essential oils by using gas chromatography-mass spectrometry with correlation of linear retention indices and comparison with comprehensive two-dimensional gas chromatography,
J. Chromatogr. A, 2002, 970, 1-2, 225-234, https://doi.org/10.1016/S0021-9673(02)00653-2
. [all data]
Chisholm, Wilson, et al., 2001
Chisholm, M.G.; Wilson, M.A.; Gaskey, G.M.; Jell, J.A.; Cass, D.M., Jr.,
Chapter 9. The identification of aroma compounds in key lime oil using solid-phase microextraction and gas chromatography-olfactometry,
Am. Chem. Soc. Symp. Ser., 2001, 782, 100-112. [all data]
Pfeifhofer, 2000
Pfeifhofer, H.W.,
Composition of the essential oil of Pinus canariensis Sweet ex Sprengel,
Flavour Fragr. J., 2000, 15, 4, 266-270, https://doi.org/10.1002/1099-1026(200007/08)15:4<266::AID-FFJ908>3.0.CO;2-E
. [all data]
Sumathykutty, Rao, et al., 1999
Sumathykutty, M.A.; Rao, J.M.; Padmakumari, K.P.; Narayanan, C.S.,
Essential oil constituents of some Piper species,
Flavour Fragr. J., 1999, 14, 5, 279-282, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<279::AID-FFJ821>3.0.CO;2-0
. [all data]
Chen, Huang, et al., 1998
Chen, S.-H.; Huang, T.-C.; Ho, C.-T.; Tsai, P.-J.,
Extraction, analysis, and study on the volatiles in roselle tea,
J. Agric. Food Chem., 1998, 46, 3, 1101-1105, https://doi.org/10.1021/jf970720y
. [all data]
Píry, Príbela, et al., 1995
Píry, J.; Príbela, A.; Durcanská, J.; Farkas, P.,
Fractionation of volatiles from blackcurrant (Ribes nigrum L.) by different extractive methods,
Food Chem., 1995, 54, 1, 73-77, https://doi.org/10.1016/0308-8146(95)92665-7
. [all data]
Combariza, Tirado, et al., 1994
Combariza, M.Y.; Tirado, C.B.; Stashenko, E.; Shibamoto, T.,
Limonene concentration in lemon (Citrus volkameriana) peel oil as a function of ripeness,
J. Hi. Res. Chromatogr., 1994, 17, 9, 643-646, https://doi.org/10.1002/jhrc.1240170905
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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