(1R,4aS,8aR)-1-Isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3
- IUPAC Standard InChIKey: QMAYBMKBYCGXDH-UHFFFAOYSA-N
- CAS Registry Number: 20085-19-2
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: α-Amorphene; Amorphene, α; 1,2,4a,5,6,8a-Hexahydro-4,7-dimethyl-1-isopropylnaphthalene; 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-naphthalene
- 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 | 5 % Phenyl methyl siloxane | HP-5 MS | SE-52 | Col-Elite 5MS | DB-5 |
| Column length (m) | 60. | 30. | 50. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | 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 | 0.32 |
| Tstart (C) | 90. | 50. | 60. | 30. | 50. |
| Tend (C) | 225. | 280. | 280. | 246. | 250. |
| Heat rate (K/min) | 3. | 4. | 3. | 3. | 5. |
| Initial hold (min) | |||||
| Final hold (min) | 3. | 20. | |||
| I | 1485. | 1485. | 1482. | 1492. | 1465. |
| Reference | Retta, Gattuso, et al., 2009 | Zhao, Zeng, et al., 2009 | Djarri, Medjroubi, et al., 2008 | Gudaityte and Venskutonis R.P., 2007 | Nori-Shargh, Raftari, 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 MS | HP-5 MS | HP-5 | HP-5 | DB-1 |
| Column length (m) | 25. | 30. | 30. | 30. | 60. |
| Carrier gas | Helium | Helium | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 100. | 60. | 40. | 60. | 60. |
| Tend (C) | 280. | 280. | 240. | 246. | 240. |
| Heat rate (K/min) | 4. | 3. | 5. | 3. | 5. |
| Initial hold (min) | 3. | 3. | 2. | ||
| Final hold (min) | 5. | 10. | |||
| I | 1481. | 1441. | 1445. | 1485. | 1465. |
| Reference | Phutdhawong, Kawaree, et al., 2007 | Vagionas, Graikou, et al., 2007 | Wenguang, Wenlai, et al., 2007 | Coronel, Cerda-Garcia-Rojas, et al., 2006 | Gohari, Hadjiakhoondi, 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 | DB-1 | DB-5 | DB-5 | HP-5MS |
| Column length (m) | 30. | 60. | 30. | 30. | 30. |
| Carrier gas | He | 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. | 60. | 60. | 60. |
| Tend (C) | 240. | 240. | 240. | 220. | 243. |
| Heat rate (K/min) | 5. | 5. | 5. | 4. | 3. |
| Initial hold (min) | 2. | 2. | 2. | 5. | |
| Final hold (min) | |||||
| I | 1472. | 1465. | 1472. | 1487. | 1472. |
| Reference | Gohari, Hadjiakhoondi, et al., 2006 | Gohari A.R., Hadjiakhoondi A., et al., 2006 | Gohari A.R., Hadjiakhoondi A., et al., 2006 | Morteza-Semnani K., Saeedi 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 | DB-5 | DB-1 | HP-5 | OV-101 |
| Column length (m) | 30. | 30. | 50. | 30. | 25. |
| 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 | |
| Tstart (C) | 60. | 60. | 60. | 60. | 50. |
| Tend (C) | 220. | 220. | 240. | 280. | 200. |
| Heat rate (K/min) | 4. | 4. | 3. | 4. | 5. |
| Initial hold (min) | 5. | 4. | |||
| Final hold (min) | |||||
| I | 1485. | 1487. | 1470. | 1453. | 1474. |
| Reference | Morteza-Semnani, Akbarzadeh, et al., 2005 | Morteza-Semnani and Saeedi, 2005 | Velasco-Negueruela, Pérez-Alonso, et al., 2005 | Ghassemi, Sajjadi, et al., 2003 | Kuiate, Bessière, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | OV-101 | DB-5 | DB-5MS | OV-101 | DB-1 |
| Column length (m) | 25. | 30. | 30. | 50. | 60. |
| Carrier gas | He | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.17 | 0.25 | |
| Tstart (C) | 50. | 60. | 40. | 50. | 50. |
| Tend (C) | 200. | 220. | 280. | 220. | 250. |
| Heat rate (K/min) | 5. | 4. | 4. | 5. | 2.5 |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | 5. | ||||
| I | 1472. | 1485. | 1514. | 1442. | 1452. |
| Reference | Menut, Bessière, et al., 2002 | Morteza-Semnani, Saeedi, et al., 2002 | Phutdhawong, Korth, et al., 2002 | Chacko, Jayalekshmy, et al., 1996 | Stashenko, Puertas, et al., 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | OV-1 | Methyl Silicone | Methyl Silicone | SE-30 |
| Column length (m) | 60. | 50. | 50. | 50. | 30. |
| Carrier gas | He | N2 | N2 | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.27 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.2 | 0.17 | 0.17 | |
| Tstart (C) | 50. | 80. | 80. | 80. | 50. |
| Tend (C) | 250. | 240. | 200. | 200. | 240. |
| Heat rate (K/min) | 3.5 | 3. | 2. | 3. | 4. |
| Initial hold (min) | 5. | 2. | |||
| Final hold (min) | 10. | ||||
| I | 1495. | 1435. | 1451. | 1451. | 1451. |
| Reference | Stashenko, Torres, et al., 1995 | Ramanoelina, Viano, et al., 1994 | Gopalakrishnan, Menon, et al., 1993 | Gopalakrishnan, Menon, et al., 1993 | Ramaswami, Briscese, et al., 1988 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-1 | SE-30 |
| Column length (m) | 10. | 30. |
| Carrier gas | H2 | |
| Substrate | ||
| Column diameter (mm) | 0.25 | |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 50. | 50. |
| Tend (C) | 250. | 240. |
| Heat rate (K/min) | 5. | 4. |
| Initial hold (min) | 2. | |
| Final hold (min) | 10. | |
| I | 1470. | 1451. |
| Reference | Perry, Baxter, et al., 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.
Retta, Gattuso, et al., 2009
Retta, D.; Gattuso, M.; Gattuso, S.; Lira, P. Di Leo; van Baren, C.; Ferraro, G.; Bandoni A.,
Essential oil composition of Achyrocline flaccida (Weinm.) DC. (Asteraceae) from different locations of Argentina,
Biochem. Systematics Ecol., 2009, 36, 12, 877-881, https://doi.org/10.1016/j.bse.2008.11.001
. [all data]
Zhao, Zeng, et al., 2009
Zhao, C.; Zeng, Y.; Wan, M.; Li, R.; Liang, Y.; Li, C.; Zeng, Z.; Chau, F.-T.,
Comparative analysis of essential oils from eight herbal medicines with pungent flavor and cool nature by GC-MS and chemometric resolution methods,
J. Sep. Sci., 2009, 32, 4, 660-670, https://doi.org/10.1002/jssc.200800484
. [all data]
Djarri, Medjroubi, et al., 2008
Djarri, L.; Medjroubi, K.; Akkai, S.; Elomri, A.; Seguin, E.; Groult, M.-L.; Verite, P.,
Variability of two essential olis of Kundmannia sicula (L.) DC., a traditional Algerian medicinal plant,
Molecules, 2008, 13, 4, 812-817, https://doi.org/10.3390/molecules13040812
. [all data]
Gudaityte and Venskutonis R.P., 2007
Gudaityte, O.; Venskutonis R.P.,
Chemotypes of Achillea millefolium transferred from 14 different locations in Lithuania to the controlled environment,
Biochem. Syst. Ecol., 2007, 35, 9, 582-592, https://doi.org/10.1016/j.bse.2007.03.016
. [all data]
Nori-Shargh, Raftari, et al., 2007
Nori-Shargh, D.; Raftari, S.; Deyhimi, F.,
Analysis of the essential oil of Grammosciadium scabridum Boiss. from Iran,
Flavour Fragr. J., 2007, 22, 5, 350-351, https://doi.org/10.1002/ffj.1803
. [all data]
Phutdhawong, Kawaree, et al., 2007
Phutdhawong, W.; Kawaree, R.; Sanjaia, S.; Sengpracha, W.; Buddhasukh, D.,
Microwave-Assisted Isolation of Essential Oil of Cinnamomum iners Reinw. es Bl.: Comparison with Conventional Hydrodistillation,
Molecules, 2007, 12, 4, 868-877, https://doi.org/10.3390/12040868
. [all data]
Vagionas, Graikou, et al., 2007
Vagionas, K.; Graikou, K.; Ngassapa, O.; Runyoro, D.; Chinou, I.,
Composition and antimicrobial activity of the essential oils of three Satureja species growing in Tansania,
Food Chem., 2007, 103, 2, 319-324, https://doi.org/10.1016/j.foodchem.2006.07.051
. [all data]
Wenguang, Wenlai, et al., 2007
Wenguang, J.; Wenlai, F.; Yan, X.; Guangao, Z.; Jiming, L.; Ying, Y.,
Analysis of free terpenoids in four Vitis vinifera varietis using solvent assisted flavour evaporation and gas chromatography-tandem mass spectrometry,
Chinese J. Chromatogr., 2007, 25, 6, 881-886, https://doi.org/10.1016/S1872-2059(08)60006-1
. [all data]
Coronel, Cerda-Garcia-Rojas, et al., 2006
Coronel, A. del.C.; Cerda-Garcia-Rojas, C.M.; Joseph-Nathan, P.; Catalán, C.A.N.,
Chemical composition, seasonal variation and a new sesquiterpene alcohol from the essential oil of Lippia integrifolia,
Flavour Fragr. J., 2006, 21, 5, 839-847, https://doi.org/10.1002/ffj.1736
. [all data]
Gohari, Hadjiakhoondi, et al., 2006
Gohari, A.R.; Hadjiakhoondi, A.; Sadat-Ebrahimi, E.; Saeidnia, S.; Shafiee, A.,
Composition of the volatile oils of Satureja spicigera C. Koch Boiss. and S. macrantha C. A. Mey from Iran,
Flavour Fragr. J., 2006, 21, 2, 348-350, https://doi.org/10.1002/ffj.1642
. [all data]
Gohari A.R., Hadjiakhoondi A., et al., 2006
Gohari A.R.; Hadjiakhoondi A.; Sadat-Ebrahimi E.; Saeidnia S.; Shafiee A.,
Composition of the volatile oils of Satureja spicigera C. Koch Boiss. and S-macrantha C. A. Mey from Iran,
Flavour Fragr. J., 2006, 21, 3, 510-512, https://doi.org/10.1002/ffj.1613
. [all data]
Morteza-Semnani K., Saeedi M., et al., 2006
Morteza-Semnani K.; Saeedi M.; Changizi S.,
The essential oil composition of Hypericum scabrum L. from Iran,
Flavour Fragr. J., 2006, 21, 3, 513-515, https://doi.org/10.1002/ffj.1614
. [all data]
Sabulal, Dan, et al., 2006
Sabulal, B.; Dan, M.; Pradeep, N.S.; Valsamma, R.K.; George, V.,
Composition and antimicrobial activity of essential oil from the fruits of Amomum cannicarpum,
Acta Pharm. Sin., 2006, 56, 473-480. [all data]
Morteza-Semnani, Akbarzadeh, et al., 2005
Morteza-Semnani, K.; Akbarzadeh, M.; Rostami, B.,
The essential oil composition of Teucrium chamaedrys L. from Iran,
Flavour Fragr. J., 2005, 20, 5, 544-546, https://doi.org/10.1002/ffj.1479
. [all data]
Morteza-Semnani and Saeedi, 2005
Morteza-Semnani, K.; Saeedi, M.,
The essential oil composition of Phlomis bruguieri Desf. from Iran,
Flavour Fragr. J., 2005, 20, 3, 344-346, https://doi.org/10.1002/ffj.1459
. [all data]
Velasco-Negueruela, Pérez-Alonso, et al., 2005
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Palá-Paúl, J.; Iñigo, A.; López, G.,
The volatile oil composition of the berries of Juniperus macrocarpa Sibth. and Sm., gathered in Spain,
J. Essent. Oil Res., 2005, 17, 1, 61-63, https://doi.org/10.1080/10412905.2005.9698831
. [all data]
Ghassemi, Sajjadi, et al., 2003
Ghassemi, N.; Sajjadi, S.E.; Ghannadi, A.; Shams-Ardakani, M.; Mehrabani, M.,
Volatile constituents of a medicinal plant of Iran, Echium Amoenum Fisch. and C.A. Mey, 2003, retrieved from http://www1.tums.ac.ir/daru/Daru1202003/Mehrabani.pdf. [all data]
Kuiate, Bessière, et al., 2002
Kuiate, J.-R.; Bessière, J.-M.; Zollo, P.-H.A.,
Composition of the essential oils from three Laggera Spp. from Cameroon,
Flavour Fragr. J., 2002, 17, 2, 105-108, https://doi.org/10.1002/ffj.1057
. [all data]
Menut, Bessière, et al., 2002
Menut, C.; Bessière, J.M.; Hassani, M.S.; Buchbauer, G.; Schopper, B.,
Chemical and biological studies of Ocotea comoriensis bark essential oil,
Flavour Fragr. J., 2002, 17, 6, 459-461, https://doi.org/10.1002/ffj.1130
. [all data]
Morteza-Semnani, Saeedi, et al., 2002
Morteza-Semnani, K.; Saeedi, M.; Vahedi, M.,
Volatile constituents of Iranian Hypericum perfloratum L.,
Oriental J. Chem., 2002, 18, 3, 443-444. [all data]
Phutdhawong, Korth, et al., 2002
Phutdhawong, W.; Korth, J.; Buddhasukh, D.; Pyne, S.G.,
Volatile components from Cephalotaxus griffithii growing in northern Thailand,
Flavour Fragr. J., 2002, 17, 2, 153-155, https://doi.org/10.1002/ffj.1064
. [all data]
Chacko, Jayalekshmy, et al., 1996
Chacko, S.; Jayalekshmy, A.; Gopalakrishnan, M.; Narayanan, C.S.,
Roasting studies on black pepper (Piper nigrum L.),
Flavour Fragr. J., 1996, 11, 5, 305-310, https://doi.org/10.1002/(SICI)1099-1026(199609)11:5<305::AID-FFJ588>3.0.CO;2-1
. [all data]
Stashenko, Puertas, et al., 1996
Stashenko, E.E.; Puertas, M.A.; Combariza, M.Y.,
Volatile secondary metabolites from Spilanthes americana obtained by simultaneous steam distillation--solvent extraction and supercritical fluid extraction,
J. Chromatogr. A, 1996, 752, 1-2, 223-232, https://doi.org/10.1016/S0021-9673(96)00480-3
. [all data]
Stashenko, Torres, et al., 1995
Stashenko, E.E.; Torres, W.; Morales, J.R.M.,
A study of the compositional variation of the essential oil of ylang-ylang (Cananga odorata Hook Fil. et Thomson, forma genuina) during flower development,
J. Hi. Res. Chromatogr., 1995, 18, 2, 101-104, https://doi.org/10.1002/jhrc.1240180206
. [all data]
Ramanoelina, Viano, et al., 1994
Ramanoelina, P.A.R.; Viano, J.; Bianchini, J.-P.; Gaydou, E.M.,
Occurrence of various chemotypes in Niaouli (Melaleuca quinquenervia) essential oils from Madagascar using multivariate statistical analysis,
J. Agric. Food Chem., 1994, 42, 5, 1177-1182, https://doi.org/10.1021/jf00041a024
. [all data]
Gopalakrishnan, Menon, et al., 1993
Gopalakrishnan, M.; Menon, N.; Padmakumari, K.P.; Jayalekshmy, A.; Narayanan, C.S.,
GC Analysis and Odor Profiles of Four New Indian Genotypes of Piper nigrum L.,
J. Essent. Oil Res., 1993, 5, 3, 247-253, https://doi.org/10.1080/10412905.1993.9698217
. [all data]
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]
Perry, Baxter, et al., 1986
Perry, N.B.; Baxter, A.J.; Brennan, N.J.; van Klink, J.W.,
Dalmatian Sage. PArt 1. Differing oil yields and compositions from flowering and non-flowering accessions,
Flavour Fragr. J., 1986, 11, 4, 231-238, https://doi.org/10.1002/(SICI)1099-1026(199607)11:4<231::AID-FFJ572>3.0.CO;2-0
. [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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.