(2S,4aR,8aR)-4a,8-Dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: OZQAPQSEYFAMCY-UHFFFAOYSA-N
- CAS Registry Number: 123123-37-5
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, (2S,4aR,8aR)-; Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, [2S-(2α,4aβ,8aα)]-; 7-epi-α-Selinene; 7 epi-a-Selinene
- 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 | DB-5 | DB-5 | DB-5 MS | CP Sil 5 CB | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Nitrogen | Helium | N2 | 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) | 35. | 40. | 50. | 60. | 35. |
Tend (C) | 220. | 230. | 220. | 300. | 220. |
Heat rate (K/min) | 3. | 2. | 3. | 4. | 3. |
Initial hold (min) | 2. | ||||
Final hold (min) | 40. | 70. | 40. | ||
I | 1513. | 1522. | 1512. | 1508. | 1517. |
Reference | El-Massry, El-Ghorab, et al., 2009 | Scrivanti, Anton, et al., 2009 | Shimizu, Imayoshi, et al., 2009 | Baran, von Reuss, et al., 2007 | El-Ghorab A., El-Massry K.F., et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | ZB-5 | DB-5 | ZB-5 | HP-5 | DB-5 |
Column length (m) | 30. | 30. | 60. | 25. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.33 | 0.25 |
Tstart (C) | 60. | 60. | 40. | 60. | 60. |
Tend (C) | 220. | 220. | 250. | 240. | 300. |
Heat rate (K/min) | 4. | 4. | 6. | 3. | 3. |
Initial hold (min) | 5. | 7. | 3. | ||
Final hold (min) | 20. | 1. | 7. | ||
I | 1519. | 1524. | 1548. | 1515. | 1514. |
Reference | Mohottalage, Tabacchi, et al., 2007 | Morteza-Semnani, Akbarzadeh, et al., 2006 | Dötterl, Wolfe, et al., 2005 | Duarte, Figueira, et al., 2005 | Ferraz, Limberger, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | SE-54 | HP-5MS | DB-5 | HP-5 |
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 | 0.32 |
Tstart (C) | 50. | 60. | 60. | 60. | 60. |
Tend (C) | 265. | 260. | 275. | 250. | 250. |
Heat rate (K/min) | 2.5 | 2. | 4. | 3. | 5. |
Initial hold (min) | 1. | 5. | 30. | ||
Final hold (min) | 30. | ||||
I | 1494. | 1506. | 1486. | 1511. | 1518. |
Reference | Khalighi-Sigaroodi, Hadijiakhoondi, et al., 2005 | Kilic, Hafizoglu, et al., 2004 | Mehrabani, Asadipour, et al., 2004 | Limberger, Simões-Pires, et al., 2003 | Yassa, Akhani, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5MS | DB-5 | DB-5 | DB-1 |
Column length (m) | 30. | 30. | 30. | 30. | 50. |
Carrier gas | He | He | He | He | N2 |
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 | |
Tstart (C) | 60. | 50. | 60. | 60. | 60. |
Tend (C) | 280. | 280. | 240. | 300. | 240. |
Heat rate (K/min) | 3. | 15. | 3. | 2. | 3. |
Initial hold (min) | 2. | ||||
Final hold (min) | 30. | 10. | |||
I | 1508. | 1470. | 1516. | 1517. | 1492. |
Reference | Caredda, Marongiu, et al., 2002 | Damon, Hernández, et al., 2002 | Kobaisy, Tellez, et al., 2002 | Ruberto, Biondi, et al., 2002 | Velasco-Negueruela, Pérez-Alonso, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-5MS | DB-1 | HP-5 | DB-5 |
Column length (m) | 30. | 33. | 30. | 30. |
Carrier gas | He | N2 | He | He |
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.50 | 0.25 | 0.25 |
Tstart (C) | 60. | 50. | 40. | 60. |
Tend (C) | 270. | 135. | 240. | 240. |
Heat rate (K/min) | 3. | 20. | 3. | 3. |
Initial hold (min) | 2. | 5. | ||
Final hold (min) | ||||
I | 1518. | 1527. | 1526. | 1516. |
Reference | Zoghbi, Andrade, et al., 2002 | Feger, Brandauer, et al., 2000 | Novak, Novak, et al., 2000 | Tellez, Dayan, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | 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.
El-Massry, El-Ghorab, et al., 2009
El-Massry, K.F.; El-Ghorab, A.H.; Shaaban, H.A.; Shibamoto, T.,
Chemical compositions and antioxidant/antimicrobial activities of various samples prepared from Schinus terebinthifolius leaves cultivated in Egipt,
J. Agric. Food Chem., 2009, 57, 12, 5265-5270, https://doi.org/10.1021/jf900638c
. [all data]
Scrivanti, Anton, et al., 2009
Scrivanti, L.R.; Anton, A.M.; Zygadlo, J.A.,
Essential oil conposition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy,
Biochem. Systematics Ecol., 2009, 37, 3, 206-213, https://doi.org/10.1016/j.bse.2009.03.009
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Shimizu, Imayoshi, et al., 2009
Shimizu, Y.; Imayoshi, Y.; Kato, M.; Maeda, K.; Iwabuchi, H.; Shimomura, K.,
Volatiles from leaves of field-grown plants and shoot cultures of Gynura bicolor DC,
Flavour Fragr. J., 2009, 24, 5, 251-258, https://doi.org/10.1002/ffj.1938
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Baran, von Reuss, et al., 2007
Baran, S.; von Reuss, S.H.; König, W.A.; Kalemba, D.,
Composition of the essential oil of Abies koreana Wils.,
Flavour Fragr. J., 2007, 22, 1, 78-83, https://doi.org/10.1002/ffj.1762
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El-Ghorab A., El-Massry K.F., et al., 2007
El-Ghorab A.; El-Massry K.F.; Shibamoto T.,
Chemical composition of the volatile extract and antioxidant activities of the volatile and nonvolatile extracts of Egyptian corn silk (Zea mays L.),
J. Agric. Food Chem., 2007, 55, 22, 9124-9127, https://doi.org/10.1021/jf071646e
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Mohottalage, Tabacchi, et al., 2007
Mohottalage, S.; Tabacchi, R.; Guerin, P.M.,
Components from Sri Lankan Piper betle L. leaf oil and their analogues showing toxicity against the housefly, Musca domestica,
Flavour Fragr. J., 2007, 22, 2, 130-138, https://doi.org/10.1002/ffj.1770
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Morteza-Semnani, Akbarzadeh, et al., 2006
Morteza-Semnani, K.; Akbarzadeh, M.; Changizi, S.,
Essential oils composition of Stachys byzantina, S. inflata, S. lavandulifolia and S. laxa from Iran,
Flavour Fragr. J., 2006, 21, 2, 300-303, https://doi.org/10.1002/ffj.1594
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Dötterl, Wolfe, et al., 2005
Dötterl, S.; Wolfe, L.M.; Jürgens, A.,
Qualitative and quantitative analyses of flower scent in Silene latifolia,
Phytochemistry, 2005, 66, 2, 203-213, https://doi.org/10.1016/j.phytochem.2004.12.002
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Duarte, Figueira, et al., 2005
Duarte, M.C.T.; Figueira, G.M.; Sartoratto, A.; Rehder, V.L.G.; Delarmelina, C.,
Anti-Candida activity of Brazilian medicinal plants,
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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
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Khalighi-Sigaroodi, Hadijiakhoondi, et al., 2005
Khalighi-Sigaroodi, F.; Hadijiakhoondi, A.; Shahverdi, A.R.; Mozaffarian, V.-A.; Shafiee, A.,
Chemical composition and antimicrobial activity of the essential oil of Ferulago Bernardii Tomk. and M.Pimen.,
DARU, 2005, 13, 3, 100-104. [all data]
Kilic, Hafizoglu, et al., 2004
Kilic, A.; Hafizoglu, H.; Kollmannsberger, H.; Nitz, S.,
Volatile constituents and key odorants in leaves, buds, flowers, and fruits of Laurus nobilis L.,
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Mehrabani, Asadipour, et al., 2004
Mehrabani, M.; Asadipour, A.; Amoli, S.S.,
Chemical constituents of the essential oil of NEPETA DEPAUPERATA BENTH. from Iran,
DARu: Journal of Faculty of Pharmacy, 2004, 12, 98-100. [all data]
Limberger, Simões-Pires, et al., 2003
Limberger, R.P.; Simões-Pires, C.A.; Sobral, M.; Menut, C.; Bessiere, J.-M.; Henriques, A.T.,
Essential oils of six Gomidesia spp. from southern Brazil,
Flavour Fragr. J., 2003, 18, 2, 144-147, https://doi.org/10.1002/ffj.1122
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Yassa, Akhani, et al., 2003
Yassa, N.; Akhani, H.; Aqaahmadi, M.; Salimian, M.,
Essential oils from two endemic species of Apiaceae from Iran,
Z. Naturforsch. C:, 2003, 58, 459-463. [all data]
Caredda, Marongiu, et al., 2002
Caredda, A.; Marongiu, B.; Porcedda, S.; Soro, C.,
Supercritical carbon dioxide extraction and characterization of Laurus nobilis essential oil,
J. Agric. Food Chem., 2002, 50, 6, 1492-1496, https://doi.org/10.1021/jf0108563
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Damon, Hernández, et al., 2002
Damon, A.A.; Hernández, A.S.; Rojas, J.C.,
Analysis of the fragrance produced by the epiphytic orchid Anathallis (Pleurothallis) racemiflora (orchidaceae) in the Soconusco region, Chiapas, Mexico,
Lindleyana, 2002, 17, 2, 93-97. [all data]
Kobaisy, Tellez, et al., 2002
Kobaisy, M.; Tellez, M.R.; Dayan, F.E.; Duke, S.O.,
Phytotoxicity and volatile constituents from leaves of Callicarpa japonica Thunb.,
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Ruberto, Biondi, et al., 2002
Ruberto, G.; Biondi, D.; Barbagallo, C.; Meli, R.; Savoca, F.,
Constituents of stem and flower oils of Helichrysum litoreum Guss.,
Flavour Fragr. J., 2002, 17, 1, 46-48, https://doi.org/10.1002/ffj.1037
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Velasco-Negueruela, Pérez-Alonso, et al., 2002
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Palá-Paúl, J.; Íñigo, A.; López, G.,
Leaf essential oils analysis of Juniperus navicularis Gandoger,
Botanica Complutensis, 2002, 26, 85-91. [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.,
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Feger, Brandauer, et al., 2000
Feger, W.; Brandauer, H.; Ziegler, H.,
Sesquiterpene hydrocarbons of cold-pressed lime oils,
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Novak, Novak, et al., 2000
Novak, J.; Novak, S.; Bitsch, C.; Franz, C.M.,
Essential oil composition of underground parts of Valeriana celtica ssp. from Austria and Italy,
Flavour Fragr. J., 2000, 15, 1, 40-42, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<40::AID-FFJ863>3.0.CO;2-B
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Tellez, Dayan, et al., 2000
Tellez, M.R.; Dayan, F.E.; Schrader, K.K.; Wedge, D.E.; Duke, S.O.,
Composition and some biological activities of the essential oils of Callicarpa Americana (L.),
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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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