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, 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 | DB-Wax | Supelcowax-10 | Carbowax 20M | DB-Wax | Supelcowax |
| Column length (m) | 30. | 30. | 60. | 30. | 25. |
| Carrier gas | He | He | He | He | |
| 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) | 40. | 60. | 45. | 40. | 35. |
| Tend (C) | 240. | 240. | 250. | 240. | 225. |
| Heat rate (K/min) | 6. | 3. | 2. | 6. | 4. |
| Initial hold (min) | 10. | 5. | 0.17 | 10. | 5. |
| Final hold (min) | 25. | 10. | 25. | 10. | |
| I | 1169. | 1199. | 1198. | 1171. | 1186. |
| Reference | Varming, Andersen, et al., 2006 | Riu-Aumatell, Lopez-Tamames, et al., 2005 | Verzera, Campisi, et al., 2005 | Varming, Petersen, et al., 2004 | Chisholm, Wilson, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | AT-Wax | CP-Wax 52CB | Carbowax 20M | Carbowax 20M | DB-Wax |
| Column length (m) | 60. | 60. | 60. | 50. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.425 | 0.2 | 0.25 |
| Tstart (C) | 65. | 45. | 45. | 30. | 50. |
| Tend (C) | 250. | 250. | 300. | 170. | 150. |
| Heat rate (K/min) | 2. | 2. | 3. | 4. | 2. |
| Initial hold (min) | 10. | 0.17 | 3. | 2. | 10. |
| Final hold (min) | 60. | 20. | 20. | 20. | |
| I | 1164. | 1198. | 1175. | 1192. | 1177. |
| Reference | Pino, Marbot, et al., 2002 | Verzera, Campisi, et al., 2001 | Mondello, Dugo, et al., 1995 | Píry, Príbela, et al., 1995 | Combariza, Tirado, et al., 1994 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Carbowax 20M |
| Column length (m) | 50. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | |
| Tstart (C) | 50. |
| Tend (C) | 200. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | 5. |
| Final hold (min) | 40. |
| I | 1188. |
| Reference | Chen, Kuo, et al., 1986 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Varming, Andersen, et al., 2006
Varming, C.; Andersen, M.L.; Poll, L.,
Volatile Monoterpenes in Black Currant (Ribes nigrum L.) Juice: Effects of Heating and Enzymatic Treatment by β-Glucosidase,
J. Agric. Food Chem., 2006, 54, 6, 2298-2302, https://doi.org/10.1021/jf051938k
. [all data]
Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S.,
Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments,
J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z
. [all data]
Verzera, Campisi, et al., 2005
Verzera, A.; Campisi, S.; Zappalá, M.,
SUPELCO. Using SPME-GC-MS to characterize volatile components of honey as indicators of botanical origin, 2005, retrieved from http://www.sigmaaldrich.com/Brands/SupelcoHome/TheReporter.html. [all data]
Varming, Petersen, et al., 2004
Varming, C.; Petersen, M.A.; Poll, L.,
Comparison of isolation methods for the determination of important aroma compounds in black currant (Ribes nigrum L.) juice, using nasal impact frequency profiling,
J. Agric. Food Chem., 2004, 52, 6, 1647-1652, https://doi.org/10.1021/jf035133t
. [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., 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]
Verzera, Campisi, et al., 2001
Verzera, A.; Campisi, S.; Zappalá, M.; Bonaccorsi, I.,
SPME-GC-MS analysis of honey volatile components for the characterization of different floral origin,
Am. Lab. Fairfield Conn., 2001, 33, 15, 18-21. [all data]
Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
. [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]
Chen, Kuo, et al., 1986
Chen, C.-C.; Kuo, M.-C.; Liu, S.-E.; Wu, C.-M.,
Volatile components of salted and pickled prunes (Prunus mume Sieb. et Zucc.),
J. Agric. Food Chem., 1986, 34, 1, 140-144, https://doi.org/10.1021/jf00067a038
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, 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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