(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 InChI: InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3
- 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, custom temperature program
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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 | HP-5MS | HP-1 | HP-1 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.25 | 0.25 |
| Program | 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C | 40C(10min) => 3C/min => 200C => 2C/min => 220C | 60C(5min) => 3C/min => 180C => 20C/min => 280C(10min) | 40C(3min) => 5C/min => 180C => 15C/min => 240C(15min) | 40C => 2C/min => 60C => 4C/min => 260C |
| I | 1534. | 1515. | 1514. | 1553. | 1518. |
| Reference | Courtois, Paine, et al., 2009 | Cole, Haber, et al., 2007 | Merle, Verdeguer, et al., 2007 | Nogueira and Romano, 2002 | Andrade, Maia, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-5 |
| Column length (m) | 30. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Program | 60C => 3C/min => 240C => 30C/min => 300C |
| I | 1514. |
| Reference | Yusuf, Begum, et al., 1998 |
| Comment | 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.
Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J.,
Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana,
J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1
. [all data]
Cole, Haber, et al., 2007
Cole, R.A.; Haber, W.A.; Setzer, W.N.,
Chemical composition of essential oils of seven species of Eugenia from Monteverde, Costa Rica,
Biochem. Syst. Ecol., 2007, 35, 12, 877-886, https://doi.org/10.1016/j.bse.2007.06.013
. [all data]
Merle, Verdeguer, et al., 2007
Merle, H.; Verdeguer, M.; Blázquez, M.A.; Boira, H.,
Chemical composition of the essential oils from Eriocephalus africanus L. var. africanus populations growing in Spain,
Flavour Fragr. J., 2007, 22, 6, 461-464, https://doi.org/10.1002/ffj.1821
. [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]
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]
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]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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