Germacrene D
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8-,14-7-
- IUPAC Standard InChIKey: GAIBLDCXCZKKJE-BZXLUOIMSA-N
- CAS Registry Number: 23986-74-5
- 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: (S,1Z,6Z)-8-Isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene; D-Germacrene; 1(10),4(14),5-Germacratriene; (-)-Germacrene D; 1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, [s-(E,E)]-
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Van Den Dool and Kratz RI, polar column, custom temperature program
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-Innowax | DB-Wax | Carbowax 20M | BP-20 | Stabilwax |
| Column length (m) | 30. | 30. | 25. | 25. | |
| Carrier gas | He | He | H2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Program | 40C(8min) => 3C/min => 180C => 20C/min => 230C (20min) | 40 (5min) => 4C/min => 140C => 4C/min => 200C (20min) | 40C(8min) => 3C/min => 180C => 20C/min => 230C | 40C(8min) => 3C/min => 180C => 20C/min => 230C | 50C(8min) => 4C/min => 180C(10min) => 5C/min => 220C |
| I | 1726. | 1699. | 1713. | 1663. | 1675. |
| Reference | Carrer, Vanderlinde, et al., 2007 | Zheng, Kim, et al., 2005 | Frizzo, Lorenzo, et al., 2004 | Lorenzo, Loayza, et al., 2003 | Hudaib, Speroni, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | RTX-Wax | Carbowax 20M | BP-20 | HP-Innowax |
| Column length (m) | 60. | 25. | 30. | |
| Carrier gas | H2 | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | |
| Program | not specified | 40 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 230 0C | not specified | 60C(8min) => 3C/min => 180C(5min) => 40C/min => 250C |
| I | 1705. | 1683. | 1698. | 1700. |
| Reference | Cavalli, Ranarivelo, et al., 2001 | Lorenzo, Saavedra, et al., 2001 | Filippini, Tomi, et al., 2000 | Bisio, Ciarallo, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Carrer, Vanderlinde, et al., 2007
Carrer, R.P.; Vanderlinde, R.; Dutra, S.; Marcon, A.; Echeverrigaray, S.,
Essential oil variation among Brazilian accessions of Salvia guaranitica L.,
Flavour Fragr. J., 2007, 22, 5, 430-434, https://doi.org/10.1002/ffj.1817
. [all data]
Zheng, Kim, et al., 2005
Zheng, C.H.; Kim, K.H.; Kim, T.H.; Lee, H.J.,
Analysis and characterization of aroma-active compounds of Schizandra chinensis (omija) leaves,
J. Sci. Food Agric., 2005, 85, 1, 161-166, https://doi.org/10.1002/jsfa.1975
. [all data]
Frizzo, Lorenzo, et al., 2004
Frizzo, C.D.; Lorenzo, D.; Dellacassa, E.,
Composition and seasonal variation of the essential oils from two mandarin cultivars of Southern Brazil,
J. Agric. Food Chem., 2004, 52, 10, 3036-3041, https://doi.org/10.1021/jf030685x
. [all data]
Lorenzo, Loayza, et al., 2003
Lorenzo, D.; Loayza, I.; Dellacassa, E.,
Composition of the essential oils from leaves of two Hedyosmum spp. from Bolivia,
Flavour Fragr. J., 2003, 18, 1, 32-35, https://doi.org/10.1002/ffj.1146
. [all data]
Hudaib, Speroni, et al., 2002
Hudaib, M.; Speroni, E.; di Pietra, A.M.; Cavrini, V.,
GC/MS evaluation of thyme (Thymus vulgaris L.) oil composition and variations during the vegetative cycle,
J. Pharm. Biomed. Anal., 2002, 29, 4, 691-700, https://doi.org/10.1016/S0731-7085(02)00119-X
. [all data]
Cavalli, Ranarivelo, et al., 2001
Cavalli, J.-F.; Ranarivelo, L.; Ratsimbason, M.; Bernardini, A.-F.; Casanova, J.,
Constituents of the essential oil of six Helichrysum species from Madagascar,
Flavour Fragr. J., 2001, 16, 4, 253-256, https://doi.org/10.1002/ffj.994
. [all data]
Lorenzo, Saavedra, et al., 2001
Lorenzo, D.; Saavedra, G.; Loayza, I.; Dellacassa, E.,
Composition of the essential oil of Erechtites hieracifolia from Bolivia,
Flavour Fragr. J., 2001, 16, 5, 353-355, https://doi.org/10.1002/ffj.1010
. [all data]
Filippini, Tomi, et al., 2000
Filippini, M.-H.; Tomi, F.; Casanova, J.,
Composition of the leaf oil of Ferula arrigonii Bocchieri,
Flavour Fragr. J., 2000, 15, 3, 195-198, https://doi.org/10.1002/1099-1026(200005/06)15:3<195::AID-FFJ891>3.0.CO;2-6
. [all data]
Bisio, Ciarallo, et al., 1998
Bisio, A.; Ciarallo, G.; Romussi, G.; Fontana, N.; Mascolo, N.; Capasso, R.; Biscardi, D.,
Chemical Composition of Essential Oils from some Salvia species,
Phytother. Res., 1998, 12, S1, s117-s120, https://doi.org/10.1002/(SICI)1099-1573(1998)12:1+3.0.CO;2-2
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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