Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1α,7β,8aα)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3
- IUPAC Standard InChIKey: QEBNYNLSCGVZOH-UHFFFAOYSA-N
- CAS Registry Number: 4630-07-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: 4βH,5α-Eremophila-1(10),11-diene; (+)-Valencene; Valencen; Valencene; 4α,10α-Dimethyl-6β-isopropyl-δ1,9-octalin; Valencene 85; 3-Isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene; Isoeremophilene; [1R-(1α,7β,8α)]-1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylvinyl)naphthalene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
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Normal alkane RI, 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 | Carbowax | Carbowax | CP-Wax 52CB | TC-FFAP | Supelcowax-10 |
| Column length (m) | 60. | 60. | 30. | 30. | |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.2 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 40. | 60. | 50. |
| Tend (C) | 250. | 250. | 220. | 220. | 250. |
| Heat rate (K/min) | 2. | 2. | 3. | 3. | 2. |
| Initial hold (min) | 8. | 8. | 1. | ||
| Final hold (min) | 15. | 15. | 2. | 30. | |
| I | 1705. | 1751. | 1728. | 1713. | 1704. |
| Reference | Ferhat, Meklati, et al., 2007 | Ferhat, Tigrine-Kordjani, et al., 2007 | Hymete, Rohloff, et al., 2007 | Kurose, Okamura, et al., 2007 | Raal, Orav, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | AT-Wax | DB-Wax | HP-Innowax | TC-FFAP |
| Column length (m) | 30. | 60. | 60. | 30. | 60. |
| Carrier gas | Helium | 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 | 0.17 | 0.4 |
| Tstart (C) | 40. | 60. | 70. | 60. | 60. |
| Tend (C) | 250. | 200. | 230. | 210. | 220. |
| Heat rate (K/min) | 3. | 4. | 2. | 4. | 3. |
| Initial hold (min) | 2. | 3. | |||
| Final hold (min) | 20. | 20. | 20. | 15. | 30. |
| I | 1751. | 1750. | 1726. | 1751. | 1719. |
| Reference | Berlinet, Brat, et al., 2006 | Borges, Rojas, et al., 2006 | Lan Phi N.T., Nishiyama C., et al., 2006 | Ferretti, Maggi, et al., 2005 | Kurose and Yatagai, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | Innowax FSC | HP-Wax | TC-Wax |
| Column length (m) | 60. | 60. | 60. | 30. | 60. |
| Carrier gas | N2 | N2 | Helium | 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 | ||
| Tstart (C) | 70. | 70. | 60. | 60. | 80. |
| Tend (C) | 230. | 230. | 220. | 220. | 240. |
| Heat rate (K/min) | 2. | 2. | 4. | 5. | 3. |
| Initial hold (min) | 2. | 2. | 10. | 10. | |
| Final hold (min) | 20. | 20. | |||
| I | 1725. | 1727. | 1740. | 1751. | 1711. |
| Reference | Choi, 2004 | Choi, 2004, 2 | Lourens, Reddy, et al., 2004 | Bertoli, Menichini, et al., 2003 | Miyazawa, Teranishi, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax | RTX-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 50. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | N2 | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.2 | 0.5 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 40. | 70. | 70. | 40. |
| Tend (C) | 190. | 180. | 230. | 230. | 200. |
| Heat rate (K/min) | 5. | 5. | 2. | 2. | 2. |
| Initial hold (min) | 5. | 2. | 2. | ||
| Final hold (min) | 20. | 20. | |||
| I | 1755. | 1772. | 1707. | 1714. | 1699. |
| Reference | Velasco-Negueruela, Pérez-Alonso, et al., 2003 | Galindo-Cuspinera, Lubran, et al., 2002 | Tu, Onishi, et al., 2002 | Tu, Thanh, et al., 2002 | Umano, Hagi, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | PEG-20M | Carbowax | Supelcowax-10 | Supelcowax-10 | Carbowax 20M |
| Column length (m) | 50. | 50. | 30. | 30. | 100. |
| Carrier gas | He | N2 | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.2 | 0.25 | ||
| Phase thickness (μm) | |||||
| Tstart (C) | 70. | 80. | 50. | 50. | 70. |
| Tend (C) | 220. | 200. | 240. | 240. | 170. |
| Heat rate (K/min) | 2. | 1. | 4. | 4. | 1. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 20. | 10. | 10. | ||
| I | 1737. | 1751. | 1722. | 1722. | 1771. |
| Reference | Orav and Kann, 2001 | Menon, Chacko, et al., 1999 | Ramaswami, Briscese, et al., 1988 | Ramaswami, Briscese, et al., 1986 | Shibamoto and Jennings, 1977 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Carbowax 20M |
| Column length (m) | 100. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | |
| Tstart (C) | 70. |
| Tend (C) | 170. |
| Heat rate (K/min) | 1. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1775. |
| Reference | Shibamoto and Jennings, 1977 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Ferhat, Meklati, et al., 2007
Ferhat, M.A.; Meklati, B.Y.; Chemat, F.,
Comparison of different isolation methods of essential oil from Citrus fruits: cold pressing, hydrodistillation and microwave dry distillation,
Flavour Fragr. J., 2007, 22, 6, 494-504, https://doi.org/10.1002/ffj.1829
. [all data]
Ferhat, Tigrine-Kordjani, et al., 2007
Ferhat, M.A.; Tigrine-Kordjani, N.; Chemat, S.; Meklati, B.Y.; Chemat, F.,
Rapid Extraction of Volatile Compounds Using a New Simultaneous Microwave Distillation: Solvent Extraction Device,
Chromatographia, 2007, 65, 3-4, 217-222, https://doi.org/10.1365/s10337-006-0130-5
. [all data]
Hymete, Rohloff, et al., 2007
Hymete, A.; Rohloff, J.; Iversen, T.-H.; Kjosen, H.,
Volatile constituents of the roots of Echinops kebericho Mesfin,
Flavour Fragr. J., 2007, 22, 1, 35-38, https://doi.org/10.1002/ffj.1746
. [all data]
Kurose, Okamura, et al., 2007
Kurose, K.; Okamura, D.; Yatagai, M.,
Composition of the essential oils from the leaves of nine Pinus species and the cones of three of Pinus species,
Flavour Fragr. J., 2007, 22, 1, 10-20, https://doi.org/10.1002/ffj.1609
. [all data]
Raal, Orav, et al., 2007
Raal, A.; Orav, A.; Arak, E.; Kailas, T.; Müürisepp, M.,
Variation in the composition of the essential oil of Valeriana officinalis L. roots from Estonia,
Proc. Est. Acad. Sci. Chem., 2007, 56, 2, 67-74. [all data]
Berlinet, Brat, et al., 2006
Berlinet, C.; Brat, P.; Brillouet, J.-M.; Ducruet, V.,
Ascorbic acid, aroma compounds and browning of orange juices related to PET packaging materials and pH,
J. of the Sci., Food and Agriculture, 2006, 86, 13, 2206-2212, https://doi.org/10.1002/jsfa.2597
. [all data]
Borges, Rojas, et al., 2006
Borges, R.; Rojas, L.B.; Cegarra, J.A.; Usubillaga, A.,
Study of the essential oils from the leaves and flowers of Lepechinia conferta (Benth) Epl.,
Flavour Fragr. J., 2006, 21, 1, 155-157, https://doi.org/10.1002/ffj.1550
. [all data]
Lan Phi N.T., Nishiyama C., et al., 2006
Lan Phi N.T.; Nishiyama C.; Choi H.-S.; Sawamura M.,
Evaluation of aroma characteristic compounds of Citrus natsudaidai Hayata (Natsudaidai) cold-pressed peel oil,
Biosci. Biotechnol. Biochem., 2006, 70, 8, 1832-1838, https://doi.org/10.1271/bbb.50705
. [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]
Kurose and Yatagai, 2005
Kurose, K.; Yatagai, M.,
Components of the essential oils of Azadirachta indica A. Juss, Azadirachta siamensis Velton, and Azadirachta excelsa (Jack) Jacobs and their comparison,
J. Wood Sci., 2005, 51, 2, 185-188, https://doi.org/10.1007/s10086-004-0640-4
. [all data]
Choi, 2004
Choi, H.-S.,
Volatile constituents of satsuma mandarins growing in Korea,
Flavour Fragr. J., 2004, 19, 5, 406-412, https://doi.org/10.1002/ffj.1283
. [all data]
Choi, 2004, 2
Choi, H.-S.,
Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME,
J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p
. [all data]
Lourens, Reddy, et al., 2004
Lourens, A.C.U.; Reddy, D.; Baser, K.H.C.; Viljoen, A.M.; Van Vuuren, S.F.,
In vitro Biological Activity and Essential Oil Composition of Four Indigenous South Africal Helichrysum Species,
J. Ethnopharmacol., 2004, 95, 2-3, 253-258, https://doi.org/10.1016/j.jep.2004.07.027
. [all data]
Bertoli, Menichini, et al., 2003
Bertoli, A.; Menichini, F.; Mazzetti, M.; Spinelli, G.; Morelli, I.,
Volatile constituents of the leaves and flowers of Hypericum triquetrifolium Turra,
Flavour Fragr. J., 2003, 18, 2, 91-94, https://doi.org/10.1002/ffj.1161
. [all data]
Miyazawa, Teranishi, et al., 2003
Miyazawa, M.; Teranishi, A.; Ishikawa, Y.,
Components of the essential oil from Petasites japonicus,
Flavour Fragr. J., 2003, 18, 3, 231-233, https://doi.org/10.1002/ffj.1203
. [all data]
Velasco-Negueruela, Pérez-Alonso, et al., 2003
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Pérez de Paz, P.L.; Palá-Paúl, J.; Sanz, J.,
Analysis by gas chromatography-mass spectrometry of the essential oils from the aerial parts of Rutheopsis herbanica (Bolle) Hans. Kunk., gathered in Fuerteventura (Canary Islands),
J. Chromatogr. A, 2003, 984, 1, 159-162, https://doi.org/10.1016/S0021-9673(02)01742-9
. [all data]
Galindo-Cuspinera, Lubran, et al., 2002
Galindo-Cuspinera, V.; Lubran, M.B.; Rankin, S.A.,
Comparison of volatile compounds in water- and oil-soluble annatto (Bixa orellana L.) extracts,
J. Agric. Food Chem., 2002, 50, 7, 2010-2015, https://doi.org/10.1021/jf011325h
. [all data]
Tu, Onishi, et al., 2002
Tu, N.T.M.; Onishi, Y.; Choi, H.-S.; Kondo, Y.; Bassore, S.M.; Ukeda, H.; Sawamura, M.,
Characteristic odor components of Citrus sphaerocarpa Tanaka (Kabosu) cold-pressed peel oil,
J. Agric. Food Chem., 2002, 50, 10, 2908-2913, https://doi.org/10.1021/jf011578a
. [all data]
Tu, Thanh, et al., 2002
Tu, N.T.M.; Thanh, L.X.; Une, A.; Ukeda, H.; Sawamura, M.,
Volatile constituents of Vietnamese pummelo, orange, tangerine and lime peel oils,
Flavour Fragr. J., 2002, 17, 3, 169-174, https://doi.org/10.1002/ffj.1076
. [all data]
Umano, Hagi, et al., 2002
Umano, K.; Hagi, Y.; Shibamoto, T.,
Volatile chemicals identified in extracts from newly hybrid citrus, dekopon (Shiranuhi mandarin Suppl. J.),
J. Agric. Food Chem., 2002, 50, 19, 5355-5359, https://doi.org/10.1021/jf0203951
. [all data]
Orav and Kann, 2001
Orav, A.; Kann, J.,
Determination of peppermint and orange aroma compounds in food and beverages,
Proc. Est. Acad. Sci. Chem., 2001, 50, 4, 217-225. [all data]
Menon, Chacko, et al., 1999
Menon, A.N.; Chacko, S.; Narayanan, C.S.,
Free and glycosidically bound volatiles of cardamom (Eletteria cardamomum Maton var. miniscula Burkill),
Flavour Fragr. J., 1999, 14, 1, 65-68, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<65::AID-FFJ789>3.0.CO;2-A
. [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]
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]
Shibamoto and Jennings, 1977
Shibamoto, T.; Jennings, W.G.,
The volatile composition of the leaf oil of California Juniper (J. californica Carr.)
in Proceedings of VII International Congress of Essential Oils, October 7-11, 1977, Kyoto, Japan, 1977, 413-418. [all data]
Notes
Go To: Top, Normal alkane RI, 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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