1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [S-(E,Z,E,E)]-
- Formula: C20H32
- Molecular weight: 272.4681
- IUPAC Standard InChI: InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12-,17-8-,18-10-,19-11-/t20-/m0/s1
- IUPAC Standard InChIKey: DMHADBQKVWXPPM-ZTAOLZRRSA-N
- CAS Registry Number: 1898-13-1
- 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: 1,3,6,10-Cyclotetradecatetraene, 14-isopropyl-3,7,11-trimethyl-, (+)-; (S,1E,3Z,6E,10E)-14-Isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene; Cembrene; Thunbergen; Thunbergene; (1S,2E,7E,11E)-2,4(18),7,11-Cembratraene; 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, (1E,3Z,6E,10E,14S)-
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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 | BP-1 | DB-5 | HP-5 | HP-5MS | DB-1 |
| Column length (m) | 50. | 30. | 25. | 30. | 30. |
| Carrier gas | He | N2 | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.32 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 50. |
| Tend (C) | 220. | 240. | 240. | 280. | 260. |
| Heat rate (K/min) | 2. | 3. | 4. | 4. | 2. |
| Initial hold (min) | 3. | 5. | 3. | ||
| Final hold (min) | 20. | 5. | 5. | ||
| I | 1932. | 1939. | 1930. | 1948. | 1924. |
| Reference | Duquesnoy, Castola, et al., 2007 | Dob, Dahmane, et al., 2006 | Rezazadeh, Hamedani, et al., 2006 | Saroglou, Dorizas, et al., 2006 | Dob, Berramdane, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-5MS | HP-5MS |
| Column length (m) | 30. | 30. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. |
| Tend (C) | 200. | 280. |
| Heat rate (K/min) | 4. | 4. |
| Initial hold (min) | 5. | 5. |
| Final hold (min) | 20. | |
| I | 1923. | 1941. |
| Reference | Yu, Kim, et al., 2004 | Skaltsa, Mavrommati, et al., 2001 |
| 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.
Duquesnoy, Castola, et al., 2007
Duquesnoy, E.; Castola, V.; Casanova, J.,
Composition and chemical variability of the twig oil of Abies alba Miller from Corsica,
Flavour Fragr. J., 2007, 22, 4, 293-299, https://doi.org/10.1002/ffj.1796
. [all data]
Dob, Dahmane, et al., 2006
Dob, T.; Dahmane, D.; Chelghoum, C.,
Essential oil composition of Juniperus oxycedrus growing in Algeria,
Pharm. Biol., 2006, 44, 1, 1-6, https://doi.org/10.1080/13880200500530922
. [all data]
Rezazadeh, Hamedani, et al., 2006
Rezazadeh, S.; Hamedani, M.P.; Dowlatabadi, R.; Yazdani, D.; Shafiee, A.,
Chemical composition of the essential oils of Stachys schtschegleevii Sosn. and Stachys balansae Boiss Kotschy from Iran,
Flavour Fragr. J., 2006, 21, 2, 290-293, https://doi.org/10.1002/ffj.1587
. [all data]
Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D.,
Analysis of the essential oil composition of eight Anthemis species from Greece,
J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087
. [all data]
Dob, Berramdane, et al., 2005
Dob, T.; Berramdane, T.; Dahmane, D.; Chelghoum, C.,
Chemical composition of the needles oil of Pinus canariensis from Algeria,
Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 2, 165-167, https://doi.org/10.1007/s10600-005-0103-1
. [all data]
Yu, Kim, et al., 2004
Yu, E.J.; Kim, T.H.; Kim, K.H.; Lee, H.J.,
Aroma-active compounds of Pinus densiflora (red pine) needles,
Flavour Fragr. J., 2004, 19, 6, 532-537, https://doi.org/10.1002/ffj.1337
. [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]
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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