Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, [2R-(2α,4aα,8aβ)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: OZQAPQSEYFAMCY-GIJJTGMTSA-N
- CAS Registry Number: 473-13-2
- 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:
- (2S,4aR,8aR)-4a,8-Dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
- Naphthalene, 3,4,4a,5,6,7,8,8a-octahydro-7-isopropylene-1,4a-dimethyl-
- (-)-α-helmiscapene
- ent-α-selinene
- 10-epi-α-selinene
- epi-α-Selinene
- 7-diepi-α-Selinene
- 7-epi--Selinene
- 5,10-di-epi-α-Selinene
- Selina-4,11-diene
- 7-epi-α-Selinene
- β-Helmiscapene
- Other names: α-Selinene; Selinene; 2-Isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene; Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, (2R,4aR,8aR)-; alpha selinene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-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-5 | HP-5 MS | HP-5 | HP-5 | CP-Sil 8 CB |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Nitrogen | 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 |
Program | 35 0C (10 min) 3 0C/min -> 205 0C 10 0C/min -> 225 0C | 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C | 60 0C (1 min) 10 0C/min -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min) | not specified | Multi-rise program |
I | 1485. | 1496. | 1494. | 1498. | 1494. |
Reference | Laribi, Kouki, et al., 2011 | Nance and Setzer, 2011 | Wang, Liu, et al., 2011 | Bi Kouame, Bedi, et al., 2010 | Di Giusto, Bessiere, et al., 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SLB-5 MS | DB-5 | HP-5 | HP-5 | HP-5 MS |
Column length (m) | 10. | 30. | 25. | 25. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.10 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.10 | 0.25 | 0.17 | 0.17 | 0.25 |
Program | not specified | 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C | 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min) | not specified | 40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min) |
I | 1501. | 1496. | 1488. | 1498. | 1492. |
Reference | Scandinaro, Tranchida, et al., 2010 | Courtois, Paine, et al., 2009 | Custer, 2009 | Custer, 2009 | Fan, Lu, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Elite-5 MS | Elite-5 MS | HP-5 MS | HP-1 | DB-1 |
Column length (m) | 30. | 30. | 30. | 25. | 30. |
Carrier gas | Helium | Helium | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.17 | 0.25 |
Program | 60 0C (1 min) 1.5 0C/min -> 185 0C (1 min) 9 0C/min -> 275 0C (2 min) | 60 0C (1 min) 1.5 0C/min -> 185 0C (1 min) 9 0C/min -> 275 0C (2 min) | 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min) | not specified | 45C => 3C/min => 175C => 15C/min => 300C (10min) |
I | 1492. | 1492. | 1498. | 1486. | 1486. |
Reference | Kapoor, Singh, et al., 2009 | Kapoor, Singh, et al., 2009 | Mancini, Arnold, et al., 2009 | Wetwiayaklung, Thavanapong, et al., 2009 | Nogueira, Marcelo-Curto, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil 8CB-MS | DB-5 MS | HP-5MS | HP-5 MS | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | Helium | He | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 50 0C(3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 260 0C | 80 0C (1.5 min) 4 pC/min -> 180 0C 10 0C/min -> 300 0C (10 min) | 40C(10min) => 3C/min => 200C => 2C/min => 220C | 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C | not specified |
I | 1497. | 1498. | 1493. | 1497. | 1499. |
Reference | Profitt, Schatz, et al., 2008 | Silva, Doria, et al., 2008 | Cole, Haber, et al., 2007 | Eason and Setzer, 2007 | Liolios, Laouer, 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 | CP-Sil | CP-Sil | CP-Sil | CP-Sil |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | 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 |
Program | 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C | 50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C | 50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C | 50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C | 50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C |
I | 1495. | 1487. | 1493. | 1497. | 1497. |
Reference | Moriarity, Bansal, et al., 2007 | Proffit, 2007 | Proffit, 2007 | Proffit, 2007 | Proffit, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | DB-5 | HP-5 MS | HP-5 MS | HP-5 MS |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Hydrogen | Helium | HGelium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 60 0C (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 280 0C (3 min) | 35 0C 4 0C/min -> 180 0C 17 0C/min -> 280 0C (10 min) | 40 0C (10 min) 3 oC/min -> 200 0C 2 0C/min -> 220 0C | 40 0C (3 min) 10 0C/min -> 108 0C 3 0C/min -> 188 0C 4 0C/min -> 280 0C (5 min) | 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C |
I | 1498. | 1498. | 1496. | 1504. | 1494. |
Reference | Radusiene, Judzentiene, et al., 2007 | Santos, Santiago, et al., 2007 | Setzer, Stokes, et al., 2007 | Kawaree, Phutdhawong, et al., 2006 | Schmidt, Noletto, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | DB-5 | SE-52 | DB-5 | Methyl Silicone |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.15 | 0.25 | |
Program | 60C => 1.5C/min => 185C(1min) => 9C/min => 275C(2min) | 60C => 2C/min => 100C => 3C/min => 160C => 5C/min => 280C | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 40C(1min) => 9C/min => 130C => 2C/min => 230C | not specified |
I | 1499. | 1494. | 1498. | 1485. | 1492. |
Reference | Singh, Marimuthu, et al., 2006 | Srivastava, Mallavarapu, et al., 2006 | Tognolini, Barocelli, et al., 2006 | Hamm, Bleton, et al., 2005 | Couladis, Özcan, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-5 | DB-1 | HP-5MS | HP-5MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | Helium | 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 |
Program | 60C(4min) => 6C/min => 240 => 10C/min => 280C | 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C | 35 0C 4 0C/min -> 180 0C 10 0C/min -> 250 0C | 60C(1min) => 1.5C/min => 185C(1min) => 9C/min => 275C(2min) | 60C(1min) => 0.5C/min => 85C(1min) => 1C/min => 105C (2min) => 10C/min => 275C(2min) |
I | 1498. | 1498. | 1498. | 1494. | 1499. |
Reference | Letchamo, Ward, et al., 2004 | Senatore, Apostolides Arnold, et al., 2004 | Silva, Matos, et al., 2004 | Singh, Marimuthu, et al., 2004 | Singh, Maurya, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | HP-1 | HP-1 | DB-5 | CP Sil 5 CB |
Column length (m) | 25. | 30. | 30. | 50. | |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.2 | 0.32 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.11 | 0.25 | 0.1 | 1.2 | |
Program | not specified | 60C (3min) => 2.5C/min => 190C (1min) => 70C/min => 240V (11min) | 40C(3min) => 5C/min => 180C => 15C/min => 240C(15min) | 35C => 4C/min => 180C => 10C/min => 250C | 36C => 20C/min => 120C(20min) => 2C/min => 250C(30min) |
I | 1486. | 1476. | 1517. | 1498. | 1500. |
Reference | Vinogradov, 2004 | Kovacevic and Kac, 2002 | Nogueira and Romano, 2002 | Pessoa, Morais, et al., 2002 | Lermusieau, Bulens, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-1 | DB-5 | DB-1 | CP Sil 5 CB | DB-5 |
Column length (m) | 50. | 30. | 30. | 25. | 30. |
Carrier gas | N2 | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.52 | 0.25 | 0.25 | 0.25 | |
Program | 40C => 2C/min => 130C => 4C/min => 250C | 40C => 2C/min => 60C => 4C/min => 260C | 45C => 3C/min => 175C => 15C/min => 240C (10min) | not specified | 60C => 3C/min => 240C => 30C/min => 300C |
I | 1482. | 1494. | 1486. | 1494. | 1491. |
Reference | Teai, Claude-Lafontaine, et al., 2001 | Andrade, Maia, et al., 2000 | Baratta, Dorman, et al., 1998 | Weyerstahl, Marschall, et al., 1998 | Yusuf, Begum, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | Methyl Silicone | DB-1 |
Column length (m) | ||
Carrier gas | ||
Substrate | ||
Column diameter (mm) | ||
Phase thickness (μm) | ||
Program | not specified | not specified |
I | 1486. | 1534. |
Reference | Zenkevich, 1996 | MacLeod and Snyder, 1988 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Laribi, Kouki, et al., 2011
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Couladis, Özcan, et al., 2004
Couladis, M.; Özcan, M.; Tzakou, O.; Akgül, A.,
Menengic (Pistacia terebinthus L.) agacinin degisik organlarinda ucucu yag bilesimi, Bitkisel Ilac Hammaddeleri Toplantisi, Bildiriler, 29-31 Mayis 2002, 2004, 6. [all data]
Letchamo, Ward, et al., 2004
Letchamo, W.; Ward, W.; Heard, B.; Heard, D.,
Essential oil of Valeriana officinalis L. cultivars and their antimicrobial activity as influenced by harvesting time under commercial organic cultivation,
J. Agric. Food Chem., 2004, 52, 12, 3915-3919, https://doi.org/10.1021/jf0353990
. [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]
Silva, Matos, et al., 2004
Silva, M.G. deV.; Matos, F.J. de.A.; Lopes, P.R.O.; Silva, F.O.; Holanda, M.T.,
Composition of Essential Oils from Three Ocimum Species Obtained by Steam and Microwave Distillation and Supercritical CO2 Extraction,
ARKIVOS, 2004, 6, 6, 66-71, https://doi.org/10.3998/ark.5550190.0005.609
. [all data]
Singh, Marimuthu, et al., 2004
Singh, G.; Marimuthu, P.; Catalan, C.; deLampasona, M.P.,
Chemical, antioxidant and antifungal activities of volatile oil of black pepper and its acetone extract,
J. Sci. Food Agric., 2004, 84, 14, 1878-1884, https://doi.org/10.1002/jsfa.1863
. [all data]
Singh, Maurya, et al., 2004
Singh, G.; Maurya, S.; Catalan, C.; de Lampasona, M.P.,
Chemical constituents, antifungal and antioxidative effects of ajwain essential oil and Its acetone extract,
J. Agric. Food Chem., 2004, 52, 11, 3292-3296, https://doi.org/10.1021/jf035211c
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Kovacevic and Kac, 2002
Kovacevic, N.; Kac, M.,
Analytical, nutritional, and clinical methods section. Determination and verification of hop varieties by analysis of essential oils,
Food Chem., 2002, 77, 4, 489-494, https://doi.org/10.1016/S0308-8146(02)00114-0
. [all data]
Nogueira and Romano, 2002
Nogueira, J.M.F.; Romano, A.,
Essential oils from micropropagated plants of Lavandula viridis,
Phytochem. Anal., 2002, 13, 1, 4-7, https://doi.org/10.1002/pca.609
. [all data]
Pessoa, Morais, et al., 2002
Pessoa, L.M.; Morais, S.M.; Bevilaqua, C.M.L.; Luciano, J.H.S.,
Anthelmintic activity of essential oil of Ocimum gratissimum Linn. and eugenol against Haemonchus contortus,
Vet. Parasitol., 2002, 109, 1-2, 59-63, https://doi.org/10.1016/S0304-4017(02)00253-4
. [all data]
Lermusieau, Bulens, et al., 2001
Lermusieau, G.; Bulens, M.; Collin, S.,
Use of GC-olfactometry to identify the hop aromatic compounds in beer,
J. Agric. Food Chem., 2001, 49, 8, 3867-3874, https://doi.org/10.1021/jf0101509
. [all data]
Teai, Claude-Lafontaine, et al., 2001
Teai, T.; Claude-Lafontaine, A.; Schippa, C.; Cozzolino, F.,
Volatile compounds in fresh pulp of pineapple (Ananas comosus [L.] Merr.) from French Polynesia,
J. Essent. Oil Res., 2001, 13, 5, 314-318, https://doi.org/10.1080/10412905.2001.9712222
. [all data]
Andrade, Maia, et al., 2000
Andrade, E.H.A.; Maia, J.G.S.; Zoghbi, M.G.B.,
Aroma volatile constituents of Brazilian varieties of mango fruit,
J. Food Comp. Anal., 2000, 13, 1, 27-33, https://doi.org/10.1006/jfca.1999.0841
. [all data]
Baratta, Dorman, et al., 1998
Baratta, M.T.; Dorman, H.J.; Deans, S.G.; Figueiredo, A.C.; Barroso, J.G.; Ruberto, G.,
Antimicrobial and antioxidant properties of some commercial essential oils,
Flavour Fragr. J., 1998, 13, 4, 235-244, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<235::AID-FFJ733>3.0.CO;2-T
. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Wolf, D.,
Constituents of commercial Brazilian cabore oil,
Flavour Fragr. J., 1998, 13, 2, 85-86, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<85::AID-FFJ697>3.0.CO;2-9
. [all data]
Yusuf, Begum, et al., 1998
Yusuf, M.; Begum, J.; Mondello, L.; Stagno d'Alcontres, I.S.,
Studies on the essential oil bearing plants of Bangladesh. Part VI. Composition of the oil of Ocimum gratissimum L.,
Flavour Fragr. J., 1998, 13, 3, 163-166, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<163::AID-FFJ714>3.0.CO;2-1
. [all data]
Zenkevich, 1996
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Mass Spectral Identification. Mono- and Sesquiterpenes,
Rastitelnye Resursy (Plant resources), 1996, 34, 1-2, 48-58. [all data]
MacLeod and Snyder, 1988
MacLeod, A.J.; Snyder, C.H.,
Volatile components of mango preserved by deep freezing,
J. Agric. Food Chem., 1988, 36, 1, 137-139, https://doi.org/10.1021/jf00079a035
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
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