(1R,9R,E)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: NPNUFJAVOOONJE-BLOBHPOZSA-N
- CAS Registry Number: 68832-35-9
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]-
- Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-
- Caryophyllene
- 9-epi-Caryophyllene
- cis-Caryophyllene
- (+)(E)-Caryophyllene
- 2-epi-(E)- β-Caryophyllene
- Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-deriv.
- (E)-Caryophyllene
- trans-β-Caryophyllene
- 9-epi-β-Caryophyllene
- cis-Caryophyllene
- β-cis-Caryophyllene
- (E)-β-Caryophyllene
- Isocaryophyllene
- Other names: Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9R)-; Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9R*)]-; (+)-9-epi-β-Caryophyllene; 9-epi-(E)-Caryophyllene; 9-epi-trans-Caryophyllene; 9-epi-β-Caryophyllene; epi-β-Caryophyllene; 9-epi-(E)-Caryophillene
- 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-5MS | DB-5 | DB-5 | DB-5 | DB-1 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 50. | 50. | 50. |
Tend (C) | 250. | 240. | 250. | 250. | 250. |
Heat rate (K/min) | 2. | 3. | 3. | 5. | 2. |
Initial hold (min) | 8. | 2. | 8. | ||
Final hold (min) | 30. | 10. | |||
I | 1470. | 1467. | 1463. | 1466. | 1429. |
Reference | Benkaci-Ali, Baaliouamer, et al., 2007 | Telascrea, de Araujo, et al., 2007 | Yu, Liao, et al., 2007 | Su, Ho, et al., 2006 | Dob, Dahmane, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | HP-5MS | HP-5 | HP-5MS | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | |
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 50. | 60. |
Tend (C) | 250. | 240. | 280. | 280. |
Heat rate (K/min) | 4. | 3. | 3. | 3. |
Initial hold (min) | 2. | 5. | 5. | |
Final hold (min) | 20. | |||
I | 1465. | 1468. | 1467. | 1466. |
Reference | Pino, Mesa, et al., 2005 | Macchioni, Cioni, et al., 2003 | Demetzos, Angelopoulou, et al., 2002 | Aligiannis, Kalpoutzakis, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | 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.
Benkaci-Ali, Baaliouamer, et al., 2007
Benkaci-Ali, F.; Baaliouamer, A.; Meklati, B.Y.; Chemat, F.,
Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation,
Flavour Fragr. J., 2007, 22, 2, 148-153, https://doi.org/10.1002/ffj.1773
. [all data]
Telascrea, de Araujo, et al., 2007
Telascrea, M.; de Araujo, C.C.; Marques, M.O.M.; Facanali, R.; de Moraes, P.L.R.; Cavalheiro, A.J.,
Essential oil from leaves of Cryptocarya mandioccana Meisner (Lauraceae): Composition and intraspecific chemical variability,
Biochem. Syst. Ecol., 2007, 35, 4, 222-232, https://doi.org/10.1016/j.bse.2006.09.015
. [all data]
Yu, Liao, et al., 2007
Yu, J.Q.; Liao, Z.X.; Cai, X.Q.; Lei, J.C.; Zou, G.L.,
Composition, antimicrobial activity and cytotoxicity of essential oils from Aristolochia mollissima,
Environmental Toxicology and Pharmacology, 2007, 23, 2, 162-167, https://doi.org/10.1016/j.etap.2006.08.004
. [all data]
Su, Ho, et al., 2006
Su, Y.C.; Ho, C.L.; Wang, E.I.C.,
Analysis of leaf essential oils from the indigenous five conifers of Taiwan,
Flavour Fragr. J., 2006, 21, 3, 447-452, https://doi.org/10.1002/ffj.1685
. [all data]
Dob, Dahmane, et al., 2005
Dob, T.; Dahmane, D.; Berramdane, T.; Chelghoum, C.,
Chemical composition of the essential oil of Artemisia campestris L. from Algeria,
Pharm. Biol., 2005, 43, 6, 512-514, https://doi.org/10.1080/13880200500220664
. [all data]
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]
Macchioni, Cioni, et al., 2003
Macchioni, F.; Cioni, P.L.; Flamini, G.; Morelli, I.; Maccioni, S.; Ansaldi, M.,
Chemical composition of essential oils from needles, branches and cones of Pinus pinea, P. halepensis, P. pinaster and P. nigra from central Italy,
Flavour Fragr. J., 2003, 18, 2, 139-143, https://doi.org/10.1002/ffj.1178
. [all data]
Demetzos, Angelopoulou, et al., 2002
Demetzos, C.; Angelopoulou, D.; Perdetzoglou, D.,
A comparative study of the essential oils of Cistus salviifolius in several populations of Crete (Greece),
Biochem. Syst. Ecol., 2002, 30, 7, 651-665, https://doi.org/10.1016/S0305-1978(01)00145-4
. [all data]
Aligiannis, Kalpoutzakis, et al., 2001
Aligiannis, N.; Kalpoutzakis, E.; Chinou, I.B.; Mitaku, S.; Gikas, E.; Tsarbopoulos, A.,
Composition and antimicrobial activity of the essential oils of five taxa of Sideritis from Greece,
J. Agric. Food Chem., 2001, 49, 2, 811-815, https://doi.org/10.1021/jf001018w
. [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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