Tricyclo[4.4.0.0(2,7)]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: UPVZPMJSRSWJHQ-UHFFFAOYSA-N
- CAS Registry Number: 20479-06-5
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: Tricyclo[4.4.0.0(2,7)]decane, 8-isopropyl-1-methyl-3-methylene-, syn-8-; β-Ylangene; trans-β-Copaene; β-Yalangene
- 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 | 5 % Phenyl polydimethyl siloxane | DB-5 | DB-5 | CP Sil 8 CB | DB-5 |
Column length (m) | 30. | 50. | 50. | 30. | |
Carrier gas | Helium | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 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 (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 250 0C (3 min) | 60 0C (2 min) 5 0C/min -> 160 0C 5 0C/min -> 250 0C (10 min) | 50C(1min) => 3C/min => 250C(10min) => 20C/min => 280C (5min) |
I | 1419. | 1424. | 1420. | 1421. | 1421. |
Reference | Chaverri, Diaz, et al., 2011 | Courtois, Paine, et al., 2009 | Judzentiene and Budiene, 2008 | Mockute, Bernotiene, et al., 2007 | Parker, Pollnitz, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | 5 % Phenyl methylsiloxane | CP Sil 8 CB | SE-52 | BPX5 | CP Sil 8 CB |
Column length (m) | 50. | 30. | 25. | 50. | |
Carrier gas | He | He | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.22 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.15 | 0.25 | 0.25 | |
Program | not specified | 60 0C (2 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C (5 min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) | not specified | 60C(1min) => 5C/min => 160C => 5C/min => 250C(3min) |
I | 1451. | 1421. | 1421. | 1420. | 1421. |
Reference | Serrano, Cornu, et al., 2007 | Mockute, Bernotiene, et al., 2006 | Tognolini, Barocelli, et al., 2006 | Dickschat, Bode, et al., 2005 | Nivinskienë, Butkienë, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | SE-30 | Methyl Silicone |
Column length (m) | ||
Carrier gas | ||
Substrate | ||
Column diameter (mm) | ||
Phase thickness (μm) | ||
Program | not specified | not specified |
I | 1405. | 1405. |
Reference | Vinogradov, 2004 | Zenkevich, 1996 |
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.
Chaverri, Diaz, et al., 2011
Chaverri, C.; Diaz, C.; Cicco, J.F.,
Chemical analysis of essential oils from Ocotea gomezii W.C. Burger and Ocotea morae Gomez-Laur. (Lauraceae) collected at Reserva biologica Alberto M. Brenes in Costa Rica and their cytotoxic activity on Tumor cell lines,
J. Braz. Chem. Soc., 2011, 22, 4, s1-s4, https://doi.org/10.1590/S0103-50532011000400018
. [all data]
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]
Judzentiene and Budiene, 2008
Judzentiene, A.; Budiene, J.,
Volatile constituents from aerial parts and roots of Cichorium intybis L. (chicory) grown in Lithuania,
Chemija, 2008, 19, 2, 25-28. [all data]
Mockute, Bernotiene, et al., 2007
Mockute, D.; Bernotiene, G.; Judzentiene, A.,
The essential oil of Ground Ivy (Glechoma hederaceae L.) growing wild in Eastern Lithuania,
J. Essent. Oil Res., 2007, 19, 5, 449-451, https://doi.org/10.1080/10412905.2007.9699948
. [all data]
Parker, Pollnitz, et al., 2007
Parker, M.; Pollnitz, A.P.; Cozzolino, D.; Leigh Francis, I.; Herderich, M.J.,
Identification and Quantification of a Marker Compound for 'Pepper' Aroma and Flavor in Shiraz Grape Berries by Combination of Chemometrics and Gas Chromatography-Mass Spectrometry,
J. Agric. Food Chem., 2007, 55, 15, 5948-5955, https://doi.org/10.1021/jf0705320
. [all data]
Serrano, Cornu, et al., 2007
Serrano, E.; Cornu, A.; Kondjoyan, N.; Figueredo, G.; Agabriel, J.; Micol, D.,
Terpene accumulation in muscle and fatty tissues of calves supplement with essential oils,
J. Animal Feed Sci., 2007, 16, 168-179. [all data]
Mockute, Bernotiene, et al., 2006
Mockute, D.; Bernotiene, G.; Judzentiene, A.,
Germacrene D chemotype of essential oils of Leonurus cardiaca L. growing wild in Vilnus district (Lithuania),
J. Essent. Oil Res., 2006, 18, 5, 566-568, https://doi.org/10.1080/10412905.2006.9699169
. [all data]
Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
. [all data]
Dickschat, Bode, et al., 2005
Dickschat, J.S.; Bode, H.B.; Wenzel, S.C.; Muller, R.; Schulz, S.,
Biosinthesis and Identification of Volatiles Released by the Myxobacterium Stigmatella aurantiaca,
ChemBioChem, 2005, 6, 11, 2023-2033, https://doi.org/10.1002/cbic.200500174
. [all data]
Nivinskienë, Butkienë, et al., 2005
Nivinskienë, O.; Butkienë, R.; Mockutë, D.,
Chemical composition of seed (fruit) essential oils of Angelica archangelica L. growing wild in Lithuania,
Chemija, 2005, 16, 3-4, 51-54. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [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]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.