Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1S-(1α,7α,8aα)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13+,15+/m0/s1
- IUPAC Standard InChIKey: QEBNYNLSCGVZOH-GZBFAFLISA-N
- CAS Registry Number: 10219-75-7
- 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. - Stereoisomers:
- Other names: Eremophila-1(10),11-diene; Eremophilene; Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1S,7R,8aR)-
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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 | DB-5 | HP-5 | CP Sil 5 CB | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 50. | 30. |
| Carrier gas | He | 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. | 75. | 60. | 60. | 60. |
| Tend (C) | 250. | 230. | 280. | 280. | 280. |
| Heat rate (K/min) | 4. | 3. | 4. | 3. | 4. |
| Initial hold (min) | 2. | 10. | 5. | 10. | 5. |
| Final hold (min) | 20. | 20. | 60. | ||
| I | 1486. | 1498. | 1503. | 1486. | 1502. |
| Reference | Pino, Mesa, et al., 2005 | Jantan, Ling, et al., 2003 | Skaltsa, Demetzos, et al., 2003 | Pino, Marbot, et al., 2001 | Skaltsa, Mavrommati, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-5 | HP-5 |
| Column length (m) | 30. | |
| Carrier gas | H2 | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.26 |
| 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 | 1489. | 1504. |
| Reference | Nogueira, Marsaioli, et al., 1998 | Oprean, Tamas, et al., 1998 |
| 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]
Jantan, Ling, et al., 2003
Jantan, I.; Ling, Y.E.; Romli, S.; Ayop, N.; Ahmad, A.S.,
A comparative study of the constituents of the essential oils of three Cinnamomum species from Malaysia,
J. Essent. Oil Res., 2003, 15, 6, 387-391, https://doi.org/10.1080/10412905.2003.9698618
. [all data]
Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M.,
Essential oil analysis and antimicrobial activity of eight Stachys species from Greece,
Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8
. [all data]
Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r
. [all data]
Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T.,
A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae),
Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6
. [all data]
Nogueira, Marsaioli, et al., 1998
Nogueira, P.C.L.; Marsaioli, A.J.; Amaral, M.C.E.; Bittrich, V.,
The fragrant floral oils of Tovomita species,
Phytochemistry, 1998, 49, 4, 1009-1012, https://doi.org/10.1016/S0031-9422(97)01046-7
. [all data]
Oprean, Tamas, et al., 1998
Oprean, R.; Tamas, M.; Sandulescu, R.; Roman, L.,
Essential oils analysis. I. Evaluation of essential oils composition using both GC and MS fingerprints,
J. Pharm. Biomed. Anal., 1998, 18, 4-5, 651-657, https://doi.org/10.1016/S0731-7085(98)00283-0
. [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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