Calacorene
- Formula: C15H20
- Molecular weight: 200.3193
- IUPAC Standard InChI: InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3
- IUPAC Standard InChIKey: YLIAZCIBLKJTKN-UHFFFAOYSA-N
- CAS Registry Number: 38599-17-6
- 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: α-Calacorene II; dihydro-1,6-dimethyl-4-(1-methylethyl)naphthalene
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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 8 CB | DB-1 | DB-5 | SE-54 | DB-1 |
| Column length (m) | 30. | 30. | 25. | 30. | 60. |
| Carrier gas | He | N2 | He | Hydrogen | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 60. | 50. | 60. | 60. | 50. |
| Tend (C) | 290. | 200. | 220. | 250. | 230. |
| Heat rate (K/min) | 3. | 5. | 3. | 2. | 4. |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | 2. | 10. | |||
| I | 1565. | 1507. | 1538. | 1534. | 1527. |
| Reference | Suárez, Vásquez, et al., 2005 | Fekam Boyom, Ngouana, et al., 2003 | Schwob, Bessière, et al., 2002 | Kollmannsberger, Nitz, et al., 1992 | Binder, Turner, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | BP-1 | DB-1 |
| Column length (m) | 25. | 60. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.33 | 0.32 |
| Phase thickness (μm) | ||
| Tstart (C) | 45. | 30. |
| Tend (C) | 180. | 210. |
| Heat rate (K/min) | 3. | 2. |
| Initial hold (min) | 3. | 4. |
| Final hold (min) | ||
| I | 1509. | 1520. |
| Reference | Wyllie, Brophy, et al., 1990 | Takeoka and Butter, 1989 |
| Comment | 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.
Suárez, Vásquez, et al., 2005
Suárez, A.I.; Vásquez, L.J.; Manzano, M.A.; Compagnone, R.S.,
Essential oil composition of Croton cuneatus and Croton malambo growing in Venezuela,
Flavour Fragr. J., 2005, 20, 6, 611-614, https://doi.org/10.1002/ffj.1498
. [all data]
Fekam Boyom, Ngouana, et al., 2003
Fekam Boyom, F.; Ngouana, V.; Amvam Zollo, P.H.; Menut, C.; Bessiere, J.M.; Gut, J.; Rosenthal, P.J.,
Composition and anti-plasmodial activities of essential oils from some Cameroonian medicinal plants,
Phytochemistry, 2003, 64, 7, 1269-1275, https://doi.org/10.1016/j.phytochem.2003.08.004
. [all data]
Schwob, Bessière, et al., 2002
Schwob, I.; Bessière, J.-M.; Viano, J.,
Composition of the essential oils of Hypericum perforatum L. from southeastern France,
C.R. Acad. Sci. Ser. 3:, 2002, 325, 781-785. [all data]
Kollmannsberger, Nitz, et al., 1992
Kollmannsberger, H.; Nitz, S.; Drawert, F.,
UBer die Aromastoffzusammensetzung von Hochdruckextrakten. I. Pfeffer (Piper nigrum, Var. muntok),
Z. Lebensm. Unters Forsch., 1992, 194, 6, 545-551, https://doi.org/10.1007/BF01185481
. [all data]
Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A.,
Comparison of yellow starthistle volatiles from different plant parts,
J. Agric. Food Chem., 1990, 38, 3, 764-767, https://doi.org/10.1021/jf00093a038
. [all data]
Wyllie, Brophy, et al., 1990
Wyllie, S.G.; Brophy, J.J.; Sarafis, V.; Hobbs, M.,
Volatile Components of the Fruit of Pistacia Lentiscus,
J. Food. Sci., 1990, 55, 5, 1325-1326, https://doi.org/10.1111/j.1365-2621.1990.tb03926.x
. [all data]
Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G.,
Volatile constituents of pineapple (Ananas Comosus [L.] Merr.)
in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [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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