Linalool oxide
- Formula: C10H18O2
- Molecular weight: 170.2487
- IUPAC Standard InChI: InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3
- IUPAC Standard InChIKey: BRHDDEIRQPDPMG-UHFFFAOYSA-N
- CAS Registry Number: 60047-17-8
- 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. - Species with the same structure:
- Stereoisomers:
- Linalool oxide
- trans-Linalool oxide (furanoid)
- Linalol oxide furanoid B
- linalyloxide trans (II)
- Linalool Z-furanic oxide
- trans-Linalol oxide (furan isomer)
- Linalool oxide 2
- Linalool oxide-I (furanoid)
- trans-Linalool oxide (furanoid)
- cis-furan Linalool oxide
- trans-furan Linalool oxide
- cis-Linalool oxide (furan)
- trans-α,α,5-Trimethyl-5-ethenyltetrahydro-2-furanmethanol
- (E)-Furan linalool oxide
- (Z)-Furan linalool oxide
- cis-Linalool oxide I
- trans-Linalool oxide I
- (Z)-Linalool oxide (furanoid)
- cis-Linalool oxde, furanoid
- trans-Linanool oxide
- Other names: Epoxylinalool; Linalol oxide (furanoid); furan linalool oxide; 5-ethenyltetrahydro-α,α-5-trimethyl-2-furanmethanol; 2-Furanmethanol, 5-ethenyltetrahydro-α,α,5-trimethyl-; 2-(tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol
- Information on this page:
- Other data available:
- Options:
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-5 | HP-5MS | HP-5MS | HP-5MS | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | He | He | He | He | Helium |
| 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) | 60. | 80. | 80. | 80. | 40. |
| Tend (C) | 250. | 290. | 290. | 290. | 250. |
| Heat rate (K/min) | 10. | 2. | 4. | 6. | 7. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 10. | ||||
| I | 1078. | 1075.3 | 1079.1 | 1080.8 | 1073. |
| Reference | Liu J.M., Nan P., et al., 2006 | Zhao, Liang, et al., 2005 | Zhao, Liang, et al., 2005 | Zhao, Liang, et al., 2005 | Bell, 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | Methyl Silicone | OV-101 | OV-101 | DB-1 |
| Column length (m) | 30. | 50. | 15. | 15. | 60. |
| Carrier gas | He | N2 | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.17 | |||
| Tstart (C) | 40. | 80. | 35. | 35. | 50. |
| Tend (C) | 240. | 200. | 250. | 250. | 250. |
| Heat rate (K/min) | 3. | 2. | 6. | 6. | 4. |
| Initial hold (min) | 3. | 3. | 0.1 | ||
| Final hold (min) | |||||
| I | 1087. | 1069. | 1065. | 1067. | 1056. |
| Reference | Shellie and Marriott, 2003 | Sumathykutty, Rao, et al., 1999 | Chisholm, Guiher, et al., 1994 | Chisholm, Guiher, et al., 1994 | Flath, Light, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-1 |
| Column length (m) | 60. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | |
| Tstart (C) | 50. |
| Tend (C) | 250. |
| Heat rate (K/min) | 4. |
| Initial hold (min) | 0.1 |
| Final hold (min) | |
| I | 1070. |
| Reference | Flath, Light, et al., 1990 |
| Comment | 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.
Liu J.M., Nan P., et al., 2006
Liu J.M.; Nan P.; Tsering Q.; Tsering T.; Bai Z.K.; Wang L.; Liu Z.J.; Zhong Y.,
Volatile constituents of the leaves and flowers of Salvia przewalskii Maxim. from Tibet,
Flavour Fragr. J., 2006, 21, 3, 435-438, https://doi.org/10.1002/ffj.1607
. [all data]
Zhao, Liang, et al., 2005
Zhao, C.-X.; Liang, Y.-Z.; Fang, H.-Z.; Li, X.-N.,
Temperature-programmed retention indices for gas chromatography-mass spectroscopy analysis of plant essential oils,
J. Chromatogr. A, 2005, 1096, 1-2, 76-85, https://doi.org/10.1016/j.chroma.2005.09.067
. [all data]
Bell, 2004
Bell, W.A.-M.,
Examination of Aroma Volatiles Formed from Thermal Processing of Florida Reconstituted Grapefruit Juice. A Thesis presented to the graduate school of the university of Florida in partial fulfillment of the requirements for the degree of master of science, 2004. [all data]
Shellie and Marriott, 2003
Shellie, R.A.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography-mass spectrometry analysis of Pelargonium graveolens essential oil using rapid scanning quadrupole mass spectrometry,
Analyst, 2003, 128, 7, 879-883, https://doi.org/10.1039/b304371a
. [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]
Chisholm, Guiher, et al., 1994
Chisholm, M.G.; Guiher, L.A.; Vonah, T.M.; Beaumont, J.L.,
Comparison of some French-American hybrid wines with white Riesling using gas chromatography-olfactometry,
Am. J. Enol. Vitic, 1994, 45, 2, 201-212. [all data]
Flath, Light, et al., 1990
Flath, R.A.; Light, D.M.; Jang, E.B.; Mon, T.R.; John, J.O.,
Headspace Examination of Volatile Emissions from Ripening Papaya (Carica papaya L., Solo Variety),
J. Agric. Food Chem., 1990, 38, 4, 1060-1063, https://doi.org/10.1021/jf00094a032
. [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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