(1R,2R,4S,6S,7S,8S)-8-Isopropyl-1-methyl-3-methylenetricyclo[4.4.0.02,7]decan-4-ol
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChI: InChI=1S/C15H24O/c1-8(2)10-5-6-15(4)11-7-12(16)9(3)14(15)13(10)11/h8,10-14,16H,3,5-7H2,1-2,4H3
- IUPAC Standard InChIKey: LPXOPRGPLUWGKB-UHFFFAOYSA-N
- CAS Registry Number: 124753-76-0
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Tricyclo[4.4.0.02,7]decan-4-ol, 1-methyl-3-methylene-8-(1-methylethyl)-, (1R,2R,4S,6S,7S,8S)-rel-; β-Copaen-4α-ol; β-Copaene-4α-ol
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- Other data available:
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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 | HP-5 | DB-5 MS | ZB-1 | DB-5 MS | HP-5 MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Hydrogen | Helium | Nitrogen | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 60. | 45. | 50. | 60. |
| Tend (C) | 290. | 240. | 230. | 300. | 280. |
| Heat rate (K/min) | 5. | 3. | 3. | 5. | 4. |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | 5. | ||||
| I | 1595. | 1585. | 1572. | 1589. | 1590. |
| Reference | Radulovic, Dordevic, et al., 2010 | Silva, Pott, et al., 2010 | Mierendorff, Stahl-Biskup, et al., 2008 | Noudogbessi, Yedomonhan, et al., 2008 | Capetanos, Saroglou, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | CP Sil 8 CB | DB-5 | HP-5MS |
| 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 | 0.25 |
| Tstart (C) | 60. | 60. | 80. | 60. | 60. |
| Tend (C) | 240. | 240. | 200. | 220. | 275. |
| Heat rate (K/min) | 3. | 3. | 3. | 4. | 4. |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | 5. | ||||
| I | 1587. | 1589. | 1594. | 1591. | 1588. |
| Reference | Chaverri and Cicció, 2005 | Chaverri and Cicció, 2005 | Facey, Porter, et al., 2005 | Morteza-Semnani, Akbarzadeh, et al., 2005 | Sajjadi and Ghannadi, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5MS | ZB-1 | DB-5 | SE-30 | CP Sil 5 CB |
| Column length (m) | 30. | 30. | 30. | 50. | 25. |
| Carrier gas | He | N2 | 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 | |
| Tstart (C) | 60. | 45. | 60. | 70. | 60. |
| Tend (C) | 240. | 230. | 240. | 240. | 220. |
| Heat rate (K/min) | 3. | 3. | 3. | 4. | 5. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1586. | 1572. | 1586. | 1581. | 1575. |
| Reference | Maia, Taveira, et al., 2003 | Mierendorff, Stahl-Biskup, et al., 2003 | da Silva, Luz, et al., 2003 | Iñigo, Palá-Paúl, et al., 2002 | Monfared, Davarani, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | HP-5 | SE-30 |
| Column length (m) | 30. | 40. |
| Carrier gas | N2 | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.50 |
| Phase thickness (μm) | 0.25 | 0.75 |
| Tstart (C) | 60. | 30. |
| Tend (C) | 220. | 220. |
| Heat rate (K/min) | 5. | 3. |
| Initial hold (min) | 10. | |
| Final hold (min) | ||
| I | 1586. | 1575. |
| Reference | Gallori, Flamini, et al., 2001 | de Pooter, de Buyck, et al., 1989 |
| Comment | 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.
Radulovic, Dordevic, et al., 2010
Radulovic, N.S.; Dordevic, N.D.; Palic, R.M.,
Volatiles of Pleurospermum austriacum (L.) Hoffm. (Apiaceae),
J. Serbian Chem. Soc., 2010, 75, 12, 1-11, https://doi.org/10.2298/JSC100323127R
. [all data]
Silva, Pott, et al., 2010
Silva, D.B.; Pott, A.; Oliveira, D.C.R.,
Analyses of the headspace volatile constituents of aerial parts (leaves and stems), flowers and fruits of Bidens gardneri Bak. and Bidens sulphurea (Cav.) Sch. Bip. using solid-phase microextraction,
J. Essen. Oil Res., 2010, 22, 6, 560-563, https://doi.org/10.1080/10412905.2010.9700400
. [all data]
Mierendorff, Stahl-Biskup, et al., 2008
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A.,
Composition of commercial Cape chamomile oil (Eriocephalus punctuatus / Eriocephalus tenuifolius), 2008, retrieved from http://www.chemische-analysen-hamburg.de/Publikationen?CapeChamomileOil/. [all data]
Noudogbessi, Yedomonhan, et al., 2008
Noudogbessi, J.-P.; Yedomonhan, P.; Sohounhloue, D.C.K.; Chalchat, J.-C.; Figueredo, G.,
Chemical composition of essential oil of syzygium guineense (Willd.) DC. var. guineense (Myrtaceae) from Benin,
Rec. Nat. Prod., 2008, 33-38. [all data]
Capetanos, Saroglou, et al., 2007
Capetanos, C.; Saroglou, V.; Marin, P.D.; Simic, A.; Skaltsa, H.D.,
Essential oil snalysis of two endemic Eringium species from Serbia,
J. Serb. Chem. Soc., 2007, 72, 10, 961-965, https://doi.org/10.2298/JSC0710961C
. [all data]
Chaverri and Cicció, 2005
Chaverri, C.; Cicció, J.F.,
Essential oil of trees of the genus Ocotea (Lauraceae) in Costa Rica. I. Ocotea brenesii,
Rev. Biol. Trop., 2005, 53, 3-4, 431-436, https://doi.org/10.15517/rbt.v53i3-4.14611
. [all data]
Facey, Porter, et al., 2005
Facey, P.C.; Porter, R.B.R.; Reese, P.B.; Williams, L.A.D.,
Biological activity and chemical composition of the essential oil from Jamaican Hyptis verticillata Jacq.,
J. Agric. Food Chem., 2005, 53, 12, 4774-4777, https://doi.org/10.1021/jf050008y
. [all data]
Morteza-Semnani, Akbarzadeh, et al., 2005
Morteza-Semnani, K.; Akbarzadeh, M.; Rostami, B.,
The essential oil composition of Teucrium chamaedrys L. from Iran,
Flavour Fragr. J., 2005, 20, 5, 544-546, https://doi.org/10.1002/ffj.1479
. [all data]
Sajjadi and Ghannadi, 2005
Sajjadi, S.-E.; Ghannadi, A.,
Essential oil of the Persian sage, Salvia rhytidea Benth.,
Acta Pharm. Sin., 2005, 55, 321-326. [all data]
Maia, Taveira, et al., 2003
Maia, J.G.S.; Taveira, F.S.N.; Andrade, E.H.A.; da Silva, M.H.L.; Zoghbi, M.G.B.,
Essential oils of Lippia grandis Schau.,
Flavour Fragr. J., 2003, 18, 5, 417-420, https://doi.org/10.1002/ffj.1241
. [all data]
Mierendorff, Stahl-Biskup, et al., 2003
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A.,
Composition of commercial Cape chamomile oil (Eriocephalus punctulatus),
Flavour Fragr. J., 2003, 18, 6, 510-514, https://doi.org/10.1002/ffj.1259
. [all data]
da Silva, Luz, et al., 2003
da Silva, J.D.; Luz, A.I.R.; da Silva, M.H.L.; Andrade, E.H.A.; Soghbi, M.G.B.; Maia, J.G.S.,
Essential oils of the leaves and stems of four Psidium spp.,
Flavour Fragr. J., 2003, 18, 3, 240-243, https://doi.org/10.1002/ffj.1219
. [all data]
Iñigo, Palá-Paúl, et al., 2002
Iñigo, A.; Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.,
Essential oil composition from the aerial parts of Haplophyllum linifolium (L.) G. Don fil.,
Botanica Complutensis, 2002, 26, 79-83. [all data]
Monfared, Davarani, et al., 2002
Monfared, A.; Davarani, S.S.H.; Rustaiyan, A.; Masoudi, S.,
Composition of the essential oil of Tanacetum balsamita L. ssp. balsamitoides (Schultz Bip.) Grierson from Iran,
J. Essent. Oil Res., 2002, 14, 1, 1-2, https://doi.org/10.1080/10412905.2002.9699741
. [all data]
Gallori, Flamini, et al., 2001
Gallori, S.; Flamini, G.; Bilia, A.R.; Morelli, I.; Landini, A.; Vincieri, F.F.,
Chemical composition of some traditional herbal drug preparations: essential oil and aromatic water of costmary (Balsamita suaveolens Pers.),
J. Agric. Food Chem., 2001, 49, 12, 5907-5910, https://doi.org/10.1021/jf0107656
. [all data]
de Pooter, de Buyck, et al., 1989
de Pooter, H.L.; de Buyck, L.F.; Schamp, N.M.; Billiet, F.; De Bruyn, A.,
The volatile fraction of Otacanthus coeruleus Lindl. Containing the new copaene derivative β-copaen-4α-ol,
Flavour Fragr. J., 1989, 4, 2, 47-51, https://doi.org/10.1002/ffj.2730040202
. [all data]
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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