Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m0/s1
- IUPAC Standard InChIKey: NPNUFJAVOOONJE-BJLYVFBQSA-N
- CAS Registry Number: 118-65-0
- 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,9R,E)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
- 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
- 2-epi-(E)-β-Caryophyllene
- (E)-β-Caryophyllene
- Other names: Isocaryophyllene; (Z)-β-Caryophyllene; β-cis-Caryophyllene; (Z)-Caryophyllene; Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4Z,9S)-; cis-Caryophyllene; 4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene; γ-Caryophyllene; [1R-(1R*,4Z,9S*)]-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
- Information on this page:
- Other data available:
- Options:
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 | HP-5 MS | DB-5 | DB-5 | DB-5 | HP-5 MS |
| Column length (m) | 60. | 35. | 35. | 35. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.20 | 0.20 | 0.20 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.10 | 0.10 | 0.10 | 0.25 |
| Tstart (C) | 40. | 50. | 50. | 50. | 50. |
| Tend (C) | 250. | 200. | 200. | 200. | 180. |
| Heat rate (K/min) | 3. | 4. | 4. | 4. | 2. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | 20. | ||||
| I | 1383. | 1404. | 1431. | 1431. | 1411. |
| Reference | Sardashti, Valizadeh, et al., 2013 | Silva, Suzuki, et al., 2012 | Silva, Suzuki, et al., 2012 | Silva, Suzuki, et al., 2012 | Hammami, Kamoun, et al., 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5 | DB-5MS | HP-1 | BP-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | Helium | Helium | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 100. | 60. | 60. | 60. |
| Tend (C) | 240. | 240. | 240. | 240. | 220. |
| Heat rate (K/min) | 3. | 5. | 3. | 2. | 2. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 5. | 20. | 20. | ||
| I | 1407. | 1404. | 1405. | 1403. | 1406. |
| Reference | Kahriman, Tosun, et al., 2011 | Lago, Romoff, et al., 2008 | Andrade, Oliveira, et al., 2007 | Hachicha, Skanji, et al., 2007 | Boti, Yao, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | HP-5 | DB-5 | HP-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | Helium | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 280. | 260. | 220. | 220. | 260. |
| Heat rate (K/min) | 3. | 5. | 4. | 5. | 5. |
| Initial hold (min) | 2. | 10. | |||
| Final hold (min) | 13. | ||||
| I | 1405. | 1408. | 1409. | 1404. | 1418. |
| Reference | Bozin, Mimicá-Dukic, et al., 2006 | Kucuk, Gulec, et al., 2006 | Morteza-Semnani, Akbarzadeh, et al., 2006 | Pintore G., Chessa M., et al., 2006 | Sabulal, Dan, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | SPB-5 | DB-5 | DB-5 | Methyl Silicone |
| Column length (m) | 30. | 60. | 30. | 30. | 12.5 |
| Carrier gas | N2 | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 60. | 60. | 50. |
| Tend (C) | 240. | 230. | 300. | 230. | 270. |
| Heat rate (K/min) | 4. | 3. | 3. | 3. | 4. |
| Initial hold (min) | 5. | 3. | |||
| Final hold (min) | |||||
| I | 1410. | 1442. | 1402. | 1404. | 1412. |
| Reference | Trilles, Bombarda, et al., 2006 | Cornu, Kondjoyan, et al., 2005 | Ferraz, Limberger, et al., 2005 | Limberger, Sobral, et al., 2005 | Ricci, Fraternale, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP Sil 5 CB | CP Sil 5 CB | HP-5MS | HP-5MS | BP-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 60. | 60. | 60. |
| Tend (C) | 220. | 220. | 280. | 280. | 220. |
| Heat rate (K/min) | 4. | 4. | 4. | 3. | 2. |
| Initial hold (min) | 1. | 1. | |||
| Final hold (min) | 20. | ||||
| I | 1409. | 1409. | 1403. | 1405. | 1405. |
| Reference | Rohloff and Bones, 2005 | Rohloff and Bones, 2005 | Sajjadi S.E. and Eskandari B., 2005 | Slavkovska, Couladis, et al., 2005 | Blanc, Muselli, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5MS | DB-5 | DB-5MS | DB-1 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 50. | 60. |
| Tend (C) | 240. | 300. | 280. | 200. | 280. |
| Heat rate (K/min) | 3. | 3. | 3. | 5. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | 30. | 30. | |||
| I | 1403. | 1404. | 1383. | 1401. | 1391. |
| Reference | paz Lima, Silva, et al., 2004 | Limberger, Sobral, et al., 2004 | Marongiu, Porcedda, et al., 2004 | Fekam Boyom, Ngouana, et al., 2003 | Marongiu, Porcedda, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | DB-5 | SPB-5 | DB-5MS | BP-1 |
| Column length (m) | 30. | 30. | 60. | 30. | 25. |
| Carrier gas | He | He | Helium | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.32 | 0.25 | 0.50 |
| Phase thickness (μm) | 0.25 | 0.25 | 1.0 | 0.25 | |
| Tstart (C) | 60. | 75. | 30. | 50. | 60. |
| Tend (C) | 280. | 220. | 230. | 280. | 220. |
| Heat rate (K/min) | 3. | 3. | 3. | 15. | 5. |
| Initial hold (min) | 4. | 2. | |||
| Final hold (min) | 10. | 10. | |||
| I | 1387. | 1399. | 1439. | 1425. | 1395. |
| Reference | Pitarokili, Tzakou, et al., 2003 | Priestap, van Baren, et al., 2003 | Sebastian, Viallon-Fernandez, et al., 2003 | Damon, Hernández, et al., 2002 | Das, Ram, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BPX-5 | DB-5 | DB-1 | CP Sil 5 CB | DB-5 |
| Column length (m) | 30. | 60. | 25. | 30. | |
| Carrier gas | He | N2 | H2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.248 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.15 | 0.25 | |
| Tstart (C) | 40. | 60. | 60. | 50. | 65. |
| Tend (C) | 260. | 250. | 220. | 320. | 300. |
| Heat rate (K/min) | 5. | 3. | 3. | 3. | 4. |
| Initial hold (min) | 5. | 2. | |||
| Final hold (min) | 22. | ||||
| I | 1409. | 1404. | 1395. | 1394. | 1413. |
| Reference | Diaz and Kite, 2002 | Limberger, Simões-Pires, et al., 2002 | Bailac, Dellacasa, et al., 2001 | Asekun and Ekundayo, 1999 | Elias, Simoneit, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | SE-54 | SE-30+Igepal | SE-30+Igepal |
| Column length (m) | 30. | 100. | 100. |
| Carrier gas | Hydrogen | ||
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | ||
| Tstart (C) | 60. | 70. | 70. |
| Tend (C) | 250. | 170. | 170. |
| Heat rate (K/min) | 2. | 1. | 1. |
| Initial hold (min) | 5. | ||
| Final hold (min) | 2. | ||
| I | 1408. | 1426. | 1426. |
| Reference | Kollmannsberger, Nitz, et al., 1992 | Shibamoto and Jennings, 1977 | Shibamoto and Jennings, 1977 |
| Comment | MSDC-RI | 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.
Sardashti, Valizadeh, et al., 2013
Sardashti, A.R.; Valizadeh, J.; Adhami, Y.,
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Hammami, Kamoun, et al., 2011
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Kahriman, Tosun, et al., 2011
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Chemical composition and antimicrobial activity of the essential oils from the flower, leaf, and stem of Senecio pandurifolis,
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Das, Ram, et al., 2002
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Notes
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- Symbols used in this document:
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