1H-Benzocycloheptene, 2,4a,5,6,7,8,9,9a-octahydro-3,5,5-trimethyl-9-methylene-, (4aS-cis)-
- 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/h10,13-14H,2,5-9H2,1,3-4H3
- IUPAC Standard InChIKey: ZJSIKVDEOWWVEH-UHFFFAOYSA-N
- CAS Registry Number: 3853-83-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1H-Benzocycloheptene, 2,4aα,5,6,7,8,9,9aα-octahydro-3,5,5-trimethyl-9-methylene-; α-Himachalene; 1H-Benzocycloheptene, 2,4a,5,6,7,8,9,9a-octahydro-3,5,5-trimethyl-9-methylene-, cis-; (4aS,9aR)-3,5,5-Trimethyl-9-methylene-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene; 3,5,5-Trimethyl-9-methylene-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[a]cycloheptene; (+)-α-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 | VF-5 MS | DB-5 MS | HP-5 MS | VF-5MS | CP Sil 5 CB |
| Column length (m) | 60. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | 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. | 60. | 50. | 240. | 40. |
| Tend (C) | 250. | 240. | 230. | 320. | 220. |
| Heat rate (K/min) | 4. | 3. | 4. | 20. | 3. |
| Initial hold (min) | 2. | 4. | 1. | ||
| Final hold (min) | 10. | 3. | |||
| I | 1469. | 1448. | 1451. | 1453. | 1451. |
| Reference | Srisajjalerwaja, Apichartsrangkoon, et al., 2012 | Silva, Pott, et al., 2010 | Forero, Quijano, et al., 2008 | Kowalski, 2008 | Hymete, Rohloff, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | HP-5 | HP-5 | DB-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | H2 | He | 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) | 50. | 60. | 50. | 60. | 60. |
| Tend (C) | 265. | 220. | 280. | 300. | 30. |
| Heat rate (K/min) | 2.5 | 5. | 4. | 3. | 4. |
| Initial hold (min) | 1. | 10. | 2. | 3. | 3. |
| Final hold (min) | 20. | 10. | 15. | ||
| I | 1438. | 1447. | 1447. | 1440. | 1450. |
| Reference | Iranshahi, Amin, et al., 2006 | Pintore G., Chessa M., et al., 2006 | Pino, Sauri-Duch, et al., 2006 | Ferraz, Limberger, et al., 2005 | Ferretti, Maggi, et al., 2005 |
| 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-5 | DB-5MS | DB-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | 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. | 60. | 60. |
| Tend (C) | 280. | 300. | 240. | 280. | 280. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
| Initial hold (min) | 30. | ||||
| Final hold (min) | |||||
| I | 1429. | 1471. | 1444. | 1451. | 1451. |
| Reference | Marongiu, Piras, et al., 2005 | Simoes-Pires C.A., Debenedetti S., et al., 2005 | Tellez, Khan, et al., 2004 | Congiu, Falconieri, et al., 2002 | Congiu, Falconieri, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | PTE-5 | CP Sil 8 CB | DB-5 | DB-5MS | DB-5 |
| Column length (m) | 60. | 30. | 25. | 30. | 30. |
| Carrier gas | H2 | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.2 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.30 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 50. | 60. | 60. | 60. |
| Tend (C) | 285. | 220. | 220. | 270. | 240. |
| Heat rate (K/min) | 4.3 | 3. | 3. | 3. | 3. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | |||||
| I | 1447. | 1453. | 1449. | 1445. | 1449. |
| Reference | Gudzic, Djokovic, et al., 2002 | Juteau, Masotti, et al., 2002 | Schwob, Bessière, et al., 2002 | Zoghbi, Andrade, et al., 2002 | Zoghbi, Andrade, et al., 2002, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CBP-1 | BP-1 | SE-30 | OV-101 | OV-101 |
| Column length (m) | 25. | 25. | 30. | 50. | 50. |
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.3 | 0.33 | 0.30 | 0.30 | |
| Phase thickness (μm) | |||||
| Tstart (C) | 60. | 45. | 50. | 40. | 40. |
| Tend (C) | 240. | 180. | 240. | 230. | 230. |
| Heat rate (K/min) | 4. | 3. | 4. | 3.5 | 3.5 |
| Initial hold (min) | 3. | 2. | 5. | 5. | |
| Final hold (min) | 10. | ||||
| I | 1443. | 1440. | 1442. | 1451. | 1468. |
| Reference | Labuckas, Zygadlo, et al., 1999 | Wyllie, Brophy, et al., 1990 | Ramaswami, Briscese, et al., 1988 | Nykanen, 1986 | Nykanen, 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | OV-101 | SE-30 |
| Column length (m) | 50. | 30. |
| Carrier gas | ||
| Substrate | ||
| Column diameter (mm) | 0.30 | |
| Phase thickness (μm) | ||
| Tstart (C) | 40. | 50. |
| Tend (C) | 230. | 240. |
| Heat rate (K/min) | 3.5 | 4. |
| Initial hold (min) | 5. | 2. |
| Final hold (min) | 10. | |
| I | 1468. | 1442. |
| Reference | Nykanen, 1986 | 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.
Srisajjalerwaja, Apichartsrangkoon, et al., 2012
Srisajjalerwaja, S.; Apichartsrangkoon, A.; Chaikham, P.; Chakrabandhu, Y.; Pathomrungsiyounggul, P.; Leksawasdi, N.; Supraditareporn, W.; Hirun, S.,
Color, capsaicin and volatile components of baked thai green chili (Capsicum anmuum Linn. var. Jak Ka Pat),
J. Agricultural Sci., 2012, 4, 12, 75-84. [all data]
Silva, Pott, et al., 2010
Silva, D.B.; Pott, A.; Oliveira, D.C.R.,
Analyses of the headspace volatile constituents of aerial parts (leaves and stems), flowers and fruits of Bidens gardneri Bak. and Bidens sulphurea (Cav.) Sch. Bip. using solid-phase microextraction,
J. Essen. Oil Res., 2010, 22, 6, 560-563, https://doi.org/10.1080/10412905.2010.9700400
. [all data]
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,
Flavour Fragr. J., 2008, 24, 1, 25-30, https://doi.org/10.1002/ffj.1913
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Kowalski, 2008
Kowalski, R.,
Antimicrobial activity of essential oils and extracts of rosinweed (Silphoum trifoliatum and Silphium integrifolium) plants used by the American Indians,
Flav. Fragr. J., 2008, 23, 6, 426-433, https://doi.org/10.1002/ffj.1901
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Hymete, Rohloff, et al., 2006
Hymete, A.; Rohloff, J.; Iversen, T.-H.,
Essential oil from seeds and husks of Aframomum corrorima from Ethiopia,
Flavour Fragr. J., 2006, 21, 4, 642-644, https://doi.org/10.1002/ffj.1634
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Iranshahi, Amin, et al., 2006
Iranshahi, M.; Amin, G.; Sourmaghi, M.S.; Shafiee, A.; Hadjiakhoondi, A.,
Sulphur-containing compounds in the essential oil of the root of Ferula persica Willd. var. persica,
Flavour Fragr. J., 2006, 21, 2, 260-261, https://doi.org/10.1002/ffj.1574
. [all data]
Pintore G., Chessa M., et al., 2006
Pintore G.; Chessa M.; Manconi P.; Zanetti S.; Deriu A.; Tirillini B.,
Chemical composition and antimicrobial activities of essential oil of stachys glutinosa L. from Sardinia,
Natural Product Communications, 2006, 1, 12, 1133-1136. [all data]
Pino, Sauri-Duch, et al., 2006
Pino, J.; Sauri-Duch, E.; Marbot, R.,
Changes in volatile compounds of Habanero chile pepper (Capsicum chinense Jack. cv. Habanero) at two ripening stages,
Food Chem., 2006, 94, 3, 394-398, https://doi.org/10.1016/j.foodchem.2004.11.040
. [all data]
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,
Flavour Fragr. J., 2005, 20, 3, 335-339, https://doi.org/10.1002/ffj.1435
. [all data]
Ferretti, Maggi, et al., 2005
Ferretti, G.; Maggi, F.; Tirillini, B.,
Essential oil composition of Hypericum richeri Vill. from Italy,
Flavour Fragr. J., 2005, 20, 3, 295-298, https://doi.org/10.1002/ffj.1412
. [all data]
Marongiu, Piras, et al., 2005
Marongiu, B.; Piras, A.; Porcedda, S.; Scorciapino, A.,
Chemical composition of the essential oil and supercritical CO2 extract of Commiphora myrrha (Nees) Engl. and of Acorus calamus L.,
J. Agric. Food Chem., 2005, 53, 20, 7939-7943, https://doi.org/10.1021/jf051100x
. [all data]
Simoes-Pires C.A., Debenedetti S., et al., 2005
Simoes-Pires C.A.; Debenedetti S.; Spegazzini E.; Mentz L.A.; Matzenbacher N.I.; Limberger R.P.; Henriques A.T.,
Investigation of the essential oil from eight species of Baccharis belonging to sect. Caulopterae (Asteraceae, Astereae): a taxonomic approach,
Plant Systematics and Evolution, 2005, 253, 1-4, 23-32, https://doi.org/10.1007/s00606-005-0296-6
. [all data]
Tellez, Khan, et al., 2004
Tellez, M.R.; Khan, I.A.; Schaneberg, B.T.; Crockett, S.L.; Rimando, A.M.; Kobaisy, M.,
Steam distillation-solid-phase microextraction for the detection of Ephedra sinica in herbal preparations,
J. Chromatogr. A, 2004, 1025, 1, 51-56, https://doi.org/10.1016/S0021-9673(03)01035-5
. [all data]
Congiu, Falconieri, et al., 2002
Congiu, R.; Falconieri, D.; Marongiu, B.; Piras, A.; Porcedda, S.,
Extraction and isolation of Pistacia lentiscus L. essential oil by supercritical CO2,
Flavour Fragr. J., 2002, 17, 4, 239-244, https://doi.org/10.1002/ffj.1095
. [all data]
Gudzic, Djokovic, et al., 2002
Gudzic, B.; Djokovic, D.; Vajs, V.; Palic, R.; Stojanovic, G.,
Composition and antimicrobial activity of the essential oil of Hypericum maculatum Crantz,
Flavour Fragr. J., 2002, 17, 5, 392-394, https://doi.org/10.1002/ffj.1112
. [all data]
Juteau, Masotti, et al., 2002
Juteau, F.; Masotti, V.; Bessière, J.-M.,
Compositional characteristics of the essential oil of Artemisia campestris var. glutinosa,
Biochem. Syst. Ecol., 2002, 30, 11, 1065-1070, https://doi.org/10.1016/S0305-1978(02)00052-2
. [all data]
Schwob, Bessière, et al., 2002
Schwob, I.; Bessière, J.-M.; Viano, J.,
Composition of the essential oils of Hypericum perforatum L. from southeastern France,
C.R. Acad. Sci. Ser. 3:, 2002, 325, 781-785. [all data]
Zoghbi, Andrade, et al., 2002
Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.L.; Maia, J.G.S.,
Volatile constituents of Lippia lupulina Cham.,
Flavour Fragr. J., 2002, 17, 1, 29-31, https://doi.org/10.1002/ffj.1032
. [all data]
Zoghbi, Andrade, et al., 2002, 2
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.,
Flavour Fragr. J., 2002, 17, 1, 5-8, https://doi.org/10.1002/ffj.1031
. [all data]
Labuckas, Zygadlo, et al., 1999
Labuckas, D.O.; Zygadlo, J.A.; Faillaci, S.M.; Espinar, L.A.,
Constituents of the volatile oil of Porophyllum obscurum (Spreng.) D.C.,
Flavour Fragr. J., 1999, 14, 2, 107-108, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<107::AID-FFJ799>3.0.CO;2-E
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Wyllie, Brophy, et al., 1990
Wyllie, S.G.; Brophy, J.J.; Sarafis, V.; Hobbs, M.,
Volatile Components of the Fruit of Pistacia Lentiscus,
J. Food. Sci., 1990, 55, 5, 1325-1326, https://doi.org/10.1111/j.1365-2621.1990.tb03926.x
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Ramaswami, Briscese, et al., 1988
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. 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]
Nykanen, 1986
Nykanen, I.,
High Resolution Gas Chromatographic - Mass Spectrometric determination of the Flavour Composition of Wild Majoram (Origanum vulgare L.) Cultivated in Finland,
Z. Lebensm Unters Forsch, 1986, 183, 4, 267-272, https://doi.org/10.1007/BF01087742
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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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