1H-Benzocycloheptene, 2,4a,5,6,7,8-hexahydro-3,5,5,9-tetramethyl-, (R)-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,14H,5-9H2,1-4H3/t14-/m1/s1
- IUPAC Standard InChIKey: LCOSCMLXPAQCLQ-CQSZACIVSA-N
- CAS Registry Number: 1461-03-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: β-Himachalene; 1H-Benzocycloheptene, 2,4aβ,5,6,7,8-hexahydro-3,5,5,9-tetramethyl-, (+)-; (+)-β-Himachalene; 3,5,5,9-Tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo[a]cycloheptene-, (R)-; 1H-Benzocycloheptene, 2,4a,5,6,7,8-hexahydro-3,5,5,9-tetramethyl-, (4aR)-; (R)-3,5,5,9-Tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo[7]annulene; 19888-28-9; Himachalene; (-)-β-himachalene
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- Other data available:
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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 | DB-5 | Elite-5 MS | HP-5 | HP-5 MS | VF-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Nitrogen | Helium | Helium |
| 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) | 40. | 40. | 50. | 50. | 240. |
| Tend (C) | 250. | 220. | 280. | 230. | 320. |
| Heat rate (K/min) | 3. | 4. | 5. | 4. | 20. |
| Initial hold (min) | 5. | 1. | 4. | 1. | |
| Final hold (min) | 20. | 1. | 10. | ||
| I | 1505. | 1478. | 1506. | 1505. | 1508. |
| Reference | Cao, Li, et al., 2011 | Baharum, Bunawan, et al., 2010 | Bousaada, Ammar, et al., 2008 | Forero, Quijano, et al., 2008 | Kowalski, 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | DB-5 | DB-5 | RTX-5 MS | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | Helium | He | Helium | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.26 | 0.26 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 45. | 95. |
| Tend (C) | 250. | 240. | 290. | 210. | 240. |
| Heat rate (K/min) | 5. | 3. | 3. | 3. | 4. |
| Initial hold (min) | 30. | ||||
| Final hold (min) | |||||
| I | 1500. | 1497. | 1497. | 1504. | 1495. |
| Reference | Yassa and Akhani, 2008 | Bos, Woerdenbag, et al., 2007 | Elfami, Bos, et al., 2007 | Hudaib and Aburjai, 2007 | Pala-Paul, Brophy, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | DB-5 | DB-5 | DB-5 | CP Sil 5 CB |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | Helium | Helium | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.26 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 60. | 40. |
| Tend (C) | 250. | 290. | 250. | 300. | 220. |
| Heat rate (K/min) | 5. | 3. | 3. | 3. | 4. |
| Initial hold (min) | 30. | 5. | 3. | 1. | |
| Final hold (min) | |||||
| I | 1500. | 1497. | 1502. | 1497. | 1505. |
| Reference | Yassa and Akhani, 2007 | Elfami, Komar, et al., 2006 | Mirza, Navaei, et al., 2006 | Ferraz, Limberger, et al., 2005 | Rohloff and Bones, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | MDN-5 | DB-5 | DB-5 | HP-5 |
| Column length (m) | 30. | 30. | 25. | 30. | 30. |
| Carrier gas | Helium | He | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.2 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 40. | 60. | 60. | 60. |
| Tend (C) | 250. | 280. | 220. | 240. | 220. |
| Heat rate (K/min) | 5. | 8. | 3. | 3. | 5. |
| Initial hold (min) | 2. | 3. | 10. | ||
| Final hold (min) | 5. | ||||
| I | 1457. | 1493. | 1501. | 1499. | 1500. |
| Reference | N/A | Jelén, 2002 | Schwob, Bessière, et al., 2002 | Zoghbi, Andrade, et al., 2002 | Gallori, Flamini, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5 | HP-5 | HP-5 | BP-1 |
| Column length (m) | 25. | ||||
| Carrier gas | |||||
| Substrate | |||||
| Column diameter (mm) | 0.33 | ||||
| Phase thickness (μm) | |||||
| Tstart (C) | 35. | 35. | 35. | 35. | 45. |
| Tend (C) | 200. | 200. | 200. | 200. | 180. |
| Heat rate (K/min) | 6. | 6. | 6. | 6. | 3. |
| Initial hold (min) | 2. | 2. | 2. | 2. | 3. |
| Final hold (min) | |||||
| I | 1542. | 1542. | 1542. | 1550. | 1485. |
| Reference | Larsen and Frisvad, 1995 | Larsen and Frisvad, 1995, 2 | Larsen and Frisvad, 1995, 2 | Larsen and Frisvad, 1994 | Wyllie, Brophy, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | SE-30 | SE-30 |
| Column length (m) | 30. | 30. |
| Carrier gas | ||
| Substrate | ||
| Column diameter (mm) | ||
| Phase thickness (μm) | ||
| Tstart (C) | 50. | 50. |
| Tend (C) | 240. | 240. |
| Heat rate (K/min) | 4. | 4. |
| Initial hold (min) | 2. | 2. |
| Final hold (min) | 10. | 10. |
| I | 1494. | 1494. |
| Reference | Ramaswami, Briscese, et al., 1988 | Ramaswami, Briscese, et al., 1986 |
| 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.
Cao, Li, et al., 2011
Cao, H.; Li, Z.; Chen, X.,
QSRR study of GC retention indices of volatile compounds emitted from Mosla chinensis Maxim. by multiply linear regression,
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Baharum, Bunawan, et al., 2010
Baharum, S.N.; Bunawan, H.; Ghani, M.A.; Mustafa, W.A.W.; Noor, N.M.,
Analysis of the chemical composition of the essential oil of Polygonum minus Huds. using two-dimensional gas chromatography - time of flight mass spectrometry (GC-TOF-MS),
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Bousaada, Ammar, et al., 2008
Bousaada, O.; Ammar, S.; Saidana, D.; Chriaa, J.; Chraif, I.; Daami, M.; Helal, A.N.; Mighri, Z.,
Chemical composition and antimicrobial activity of volatile components from capitula and aerial parts of Rhaponticum acaule DC growing wild in Tunisia,
Microbiol. Res., 2008, 163, 1, 87-95, https://doi.org/10.1016/j.micres.2007.02.010
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Forero, Quijano, et al., 2008
Forero, M.D.; Quijano, C.E.; Pino, J.A.,
Volatile compounds of Chile pepper (Capsicum annuum L. var. glabriusculum) at two ripening stages,
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Kowalski, 2008
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Antimicrobial activity of essential oils and extracts of rosinweed (Silphoum trifoliatum and Silphium integrifolium) plants used by the American Indians,
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Yassa and Akhani, 2008
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2008, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
Bos, Woerdenbag, et al., 2007
Bos, R.; Woerdenbag, H.J.; Kayser, O.; Quax, W.J.; Ruslan, K.; Elfami,
Essential oil constituents of Piper cubeba L. fils. from Indonesia,
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Elfami, Bos, et al., 2007
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Essential Oil Constituents of Piper cubeba from Indonesia, 2007, 53-60. [all data]
Hudaib and Aburjai, 2007
Hudaib, M.; Aburjai, T.,
Volatile components of Thymus vulgaris L. from wild-growing and cultivated plants in Jordan,
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Pala-Paul, Brophy, et al., 2007
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Essential oil composition of the different parts of Eryngium corniculatum Lam. (Apiaceae) from Spain,
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Yassa and Akhani, 2007
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2007, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
Elfami, Komar, et al., 2006
Elfami, R.B.; Komar, R.; Woerdenbag, H.J.; Kayser, P.; Quax, W.J.,
Essential oil constituents of Piper cubeba from Indonesia, 2006, retrieved from http://dissertations.ub.rug.nl/FILES/facultiew/science/2006/elfahmi/05c5.pdf. [all data]
Mirza, Navaei, et al., 2006
Mirza, M.; Navaei, M.N.; Dini, M.,
Volatile constituents of essential oils isolated from flowers and leaves of Eupatorium cannabinum L. from Iran,
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Ferraz, Limberger, et al., 2005
Ferraz, A.B.F.; Limberger, R.P.; Bordignon, S.A.L.; von Poser, G.L.; Henriques, A.T.,
Essential oil composition of six Hypericum species from southern Brazil,
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Rohloff and Bones, 2005
Rohloff, J.; Bones, A.M.,
Volatile profiling of Arabidopsis thaliana - Putative olfactory compounds in plant communication,
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Jelén, 2002
Jelén, H.H.,
Volatile sesquiterpene hydrocarbons characteristic for Penicillium roqueforti strains producing PR toxin,
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Schwob, Bessière, et al., 2002
Schwob, I.; Bessière, J.-M.; Viano, J.,
Composition of the essential oils of Hypericum perforatum L. from southeastern France,
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Zoghbi, Andrade, et al., 2002
Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.; Maia, J.G.S.; Luz, A.I.R.; da Silva, J.D.,
Chemical variation in the essential oils of Hyptis crenata Pohl ex Benth.,
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Gallori, Flamini, et al., 2001
Gallori, S.; Flamini, G.; Bilia, A.R.; Morelli, I.; Landini, A.; Vincieri, F.F.,
Chemical composition of some traditional herbal drug preparations: essential oil and aromatic water of costmary (Balsamita suaveolens Pers.),
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Larsen and Frisvad, 1995
Larsen, T.O.; Frisvad, J.C.,
Characterization of volatile metabolites from 47 Penicillium taxa,
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Larsen and Frisvad, 1995, 2
Larsen, T.O.; Frisvad, J.C.,
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Larsen and Frisvad, 1994
Larsen, T.O.; Frisvad, J.C.,
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Sesquiterpene hydrocarbons: from mass confusion to orderly line-up
in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 951-980. [all data]
Ramaswami, Briscese, et al., 1986
Ramaswami, S.K.; Briscese, P.; Gargiullo, R.J.; von Geldern, T.,
Sesquiterpene hydrocarbons: from mass confusion to orderly line-up
in Flavors and Fragrances: A World Perspective, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Proceedings of the 10th International Congress of Essential Oils, Fragrances, and Flavors, Washington, DC, 1986, 951-959. [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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