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 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
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- Other data available:
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Normal alkane RI, polar column, custom temperature program
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 Innowax | HP-Innowax | DB-Wax | Innowax FSC | HP-Innowax FSC |
Column length (m) | 50. | 50. | 30. | 60. | 60. |
Carrier gas | Helium | He | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.2 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.2 | 0.25 | 0.25 | 0.25 |
Program | 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min) | 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C | 40 0C (3 min) 3 0C/min -> 150 0C (2 min) 6 0C/min -> 230 0C (10 min) | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
I | 1740. | 1740. | 1696. | 1744. | 1740. |
Reference | Mancini, Arnold, et al., 2009 | Formisano, Mignola, et al., 2007 | Wenguang, Wenlai, et al., 2007 | Baser K.H.C., Ozek G., et al., 2006 | Demirci B., Baser K.H.C., et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax FSC | HP-Innowax FSC | HP-Innowax FSC | HP-Innowax FSC | HP-Innowax |
Column length (m) | 60. | 60. | 60. | 60. | 50. |
Carrier gas | He | N2 | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
Program | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C => (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified |
I | 1740. | 1740. | 1740. | 1740. | 1740. |
Reference | Erdurak, Coskun, et al., 2006 | Tabanca, Demirci, et al., 2006 | Tabanca, Demirci, et al., 2006, 2 | Tunalier, Candan, et al., 2006 | Senatore, Apostolides Arnold, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | HP-Innowax FSC | DB-Wax | HP-Innowax | Innowax |
Column length (m) | 60. | 30. | 60. | 60. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | ||
Program | not specified | 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(2min) => 2C/min => 220C => 3C/min => 245C(20min) | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C |
I | 1751. | 1740. | 1741. | 1740. | 1740. |
Reference | Vinogradov, 2004 | Demirci, Baser, et al., 2003 | Selli, Cabaroglu, et al., 2003 | Baser, Demirci, et al., 2002 | Ahmed, Choudhary, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Carbowax 20M |
Column length (m) | |
Carrier gas | |
Substrate | |
Column diameter (mm) | |
Phase thickness (μm) | |
Program | not specified |
I | 1751. |
Reference | Shibamoto, 1987 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F.,
Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon,
Molecules, 2009, 14, 11, 4725-4736, https://doi.org/10.3390/molecules14114725
. [all data]
Formisano, Mignola, et al., 2007
Formisano, C.; Mignola, E.; Rigano, D.; Senatore, F.; Bellone, G.; Bruno, M.; Rosselli, S.,
Chemical composition and antimicrobial activity of the essential oil from aerial parts of Micromeria fruticulosa (Bertol.) Grande (Lamiaceae) growing wild in Southern Italy,
Flavour Fragr. J., 2007, 22, 4, 289-292, https://doi.org/10.1002/ffj.1795
. [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]
Baser K.H.C., Ozek G., et al., 2006
Baser K.H.C.; Ozek G.; Ozek T.; Duran A.,
Composition of the essential oil of Centaurea huber-morathii Wagenitz isolated from seeds by microdistillation,
Flavour Fragr. J., 2006, 21, 3, 568-570, https://doi.org/10.1002/ffj.1620
. [all data]
Demirci B., Baser K.H.C., et al., 2006
Demirci B.; Baser K.H.C.; Tabanca N.; Wedge D.E.,
Characterization of volatile constituents of Haplopappus greenei and studies on the antifungal activity against phytopathogens,
J. Agric. Food Chem., 2006, 54, 8, 3146-3150, https://doi.org/10.1021/jf053222v
. [all data]
Erdurak, Coskun, et al., 2006
Erdurak, C.S.; Coskun, M.; Demirci, B.; Baser, K.H.C.,
Composition of the essential oil of fruits and roots of Ferulago isaurica Pesmen and F. syriaca Boiss. (Umbelliferae) from Turkey,
Flavour Fragr. J., 2006, 21, 1, 118-121, https://doi.org/10.1002/ffj.1540
. [all data]
Tabanca, Demirci, et al., 2006
Tabanca, N.; Demirci, B.; Ozek, T.; Kirimer, N.; Can Baser, K.H.; Bedir, E.; Khan, I.A.; Wedge, D.E.,
Gas chromatographic-mass spectrometric analysis of essential oils from Pimpinella species gathered from Central and Northern Turkey,
J. Chromatogr. A, 2006, 1117, 2, 194-205, https://doi.org/10.1016/j.chroma.2006.03.075
. [all data]
Tabanca, Demirci, et al., 2006, 2
Tabanca, N.; Demirci, B.; Can Baser, K.H.; Aytac, Z.; Ekici, M.; Khan, S.I.; Jacob, M.R.; Wedge, D.E.,
Chemical Composition and Antifungal Activity of Salvia macrochlamys and Salvia recognita Essential Oils,
J. Agric. Food Chem., 2006, 54, 18, 6593-6597, https://doi.org/10.1021/jf0608773
. [all data]
Tunalier, Candan, et al., 2006
Tunalier, Z.; Candan, N.T.; Demirci, B.; Baser, K.H.,
The essential oil composition of Acroptilon repens (L.) DC. of Turkish origin,
Flavour Fragr. J., 2006, 21, 3, 462-464, https://doi.org/10.1002/ffj.1670
. [all data]
Senatore, Apostolides Arnold, et al., 2004
Senatore, F.; Apostolides Arnold, N.; Piozzi, F.,
Chemical composition of the essential oil of Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon,
J. Chromatogr. A, 2004, 1052, 1-2, 237-240, https://doi.org/10.1016/j.chroma.2004.08.095
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Demirci, Baser, et al., 2003
Demirci, B.; Baser, K.H.C.; Yildiz, B.; Bahcecioglu, Z.,
Composition of the essential oils of six endemic Salvia spp. from Turkey,
Flavour Fragr. J., 2003, 18, 2, 116-121, https://doi.org/10.1002/ffj.1173
. [all data]
Selli, Cabaroglu, et al., 2003
Selli, s.; Cabaroglu, T.; Canbas, A.,
Flavour components of orange wine made from a Turkish cv. Kozan,
Int. J. Food Sci. Technol., 2003, 38, 5, 587-593, https://doi.org/10.1046/j.1365-2621.2003.00691.x
. [all data]
Baser, Demirci, et al., 2002
Baser, K.H.C.; Demirci, B.; Kirimer, N.; Satil, F.; Tumen, G.,
The essential oils of Thymus migricus and T. fedtschenkoi var. handelii from Turkey,
Flavour Fragr. J., 2002, 17, 1, 41-45, https://doi.org/10.1002/ffj.1036
. [all data]
Ahmed, Choudhary, et al., 2000
Ahmed, A.; Choudhary, M.I.; Farooq, A.; Demirci, B.; Demirci, F.; Baser, K.H.C.,
Essential oil constituents of the spice Cinnamomum tamala (Ham.) Nees Eberm.,
Flavour Fragr. J., 2000, 15, 6, 388-390, https://doi.org/10.1002/1099-1026(200011/12)15:6<388::AID-FFJ928>3.0.CO;2-F
. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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