Tricyclo[4.4.0.0(2,7)]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3
- 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
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center |
| NIST MS number | 414669 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SE-30 | 130. | 1417.5 | Andersen and Falcone, 1969 | He, Chromosorb G |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1425. | Duquesnoy, Dinh, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | HP-5 | 1421. | Flamini, Luigi Cioni, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | HP-5 | 1421. | Javidnia, Miri, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | HP-5 | 1422. | Javidnia, Miri, et al., 2005, 2 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | RTX-1 | 1418. | Paolini, Costa, et al., 2005 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1424.8 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
| Capillary | 5 % Phenyl methyl siloxane | 1421. | Sacchetti, Maietti, et al., 2005 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 1567. | Duquesnoy, Dinh, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | RTX-Wax | 1568. | Paolini, Costa, et al., 2005 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | DB-Wax | 1576. | Brophy, Goldsack, et al., 2000 | 60. m/0.53 mm/1.0 μm, He, 3. K/min; Tstart: 50. C; Tend: 220. C |
| Capillary | DB-Wax | 1574. | Brophy, Goldsack, et al., 1999 | He, 3. K/min; Column length: 60. m; Column diameter: 0.53 mm; Tstart: 50. C; Tend: 220. C |
| Capillary | Carbowax 20M | 1547. | Chen and Ho, 1988 | He, 1.5 K/min, 225. C @ 80. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 MS | 1426. | Mesa-Arango, Betancur-Galvis, et al., 2010 | 60. m/0.25 mm/0.25 μm, Helium, 40. C @ 15. min, 5. K/min, 250. C @ 15. min |
| Capillary | HP-5 MS | 1422. | Radulovic, Dordevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
| Capillary | 5 % Phenyl methyl siloxane | 1421. | Retta, Gattuso, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium, 3. K/min, 225. C @ 3. min; Tstart: 90. C |
| Capillary | DB-5 MS | 1419. | Shimizu, Imayoshi, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 3. K/min, 220. C @ 70. min |
| Capillary | DB-5 | 1431. | Mosayebi, Amin, et al., 2008 | 60. m/0.25 mm/0.25 μm, Nitrogen, 5. K/min, 250. C @ 10. min; Tstart: 60. C |
| Capillary | RTX-1 | 1418. | Paolini, Tomi, et al., 2008 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | DB-5 | 1372. | Smelcerovic, Spiteller, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 10. K/min, 320. C @ 4. min; Tstart: 60. C |
| Capillary | HP-5MS | 1380. | Tzakou, Bazos, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5MS | 1423. | Ibanez and Usubillaga, 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | BP-1 | 1416. | Lesueur, Ban, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-5 | 1423. | Morteza-Semnani, Akbarzadeh, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | BPX5 | 1425. | Dickschat, Bode, et al., 2005 | 25. m/0.22 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min; Tend: 320. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl polydimethyl siloxane | 1419. | Chaverri, Diaz, et al., 2011 | Program: not specified |
| Capillary | DB-5 | 1424. | Courtois, Paine, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C |
| Capillary | DB-5 | 1420. | Judzentiene and Budiene, 2008 | 50. m/0.32 mm/0.25 μm, Helium; Program: 60 0C (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 250 0C (3 min) |
| Capillary | CP Sil 8 CB | 1421. | Mockute, Bernotiene, et al., 2007 | 50. m/0.32 mm/0.25 μm, He; Program: 60 0C (2 min) 5 0C/min -> 160 0C 5 0C/min -> 250 0C (10 min) |
| Capillary | DB-5 | 1421. | Parker, Pollnitz, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(1min) => 3C/min => 250C(10min) => 20C/min => 280C (5min) |
| Capillary | 5 % Phenyl methylsiloxane | 1451. | Serrano, Cornu, et al., 2007 | Program: not specified |
| Capillary | CP Sil 8 CB | 1421. | Mockute, Bernotiene, et al., 2006 | 50. m/0.32 mm/0.25 μm, He; Program: 60 0C (2 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C (5 min) |
| Capillary | SE-52 | 1421. | Tognolini, Barocelli, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | BPX5 | 1420. | Dickschat, Bode, et al., 2005 | 25. m/0.22 mm/0.25 μm, Helium; Program: not specified |
| Capillary | CP Sil 8 CB | 1421. | Nivinskienë, Butkienë, et al., 2005 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(1min) => 5C/min => 160C => 5C/min => 250C(3min) |
| Capillary | SE-30 | 1405. | Vinogradov, 2004 | Program: not specified |
| Capillary | Methyl Silicone | 1405. | Zenkevich, 1996 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1580. | Shimizu, Imayoshi, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 3. K/min, 220. C @ 70. min |
| Capillary | RTX-Wax | 1568. | Paolini, Tomi, et al., 2008 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | TC-FFAP | 1553. | Kurose, Okamura, et al., 2007 | He, 3. K/min, 220. C @ 30. min; Column diameter: 0.25 mm; Phase thickness: 0.25 μm; Tstart: 60. C |
| Capillary | BP-20 | 1570. | Lesueur, Ban, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | Innowax | 1589. | Suleimenov, Atazharova, et al., 2003 | He, 60. C @ 10. min, 4. K/min, 220. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm |
| Capillary | DB-Wax | 1586. | Ngassoum, Yonkeu, et al., 1999 | 60. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-Wax | 1576. | Molleken U., Sinnwell V., et al., 1998 | 30. m/0.25 mm/0.25 μm, N2, 3. K/min; Tstart: 45. C; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax FSC | 1589. | Akin, Saracoglu, et al., 2012 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 oC/min -> 240 0C |
| Capillary | HP-Innowax FSC | 1589. | Baser K.H.C. and Demirci B., 2007 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Innowax FSC | 1589. | Kaya, Benirci, et al., 2007 | 60. m/0.25 mm/0.25 μm, Nitrogen; Program: 60 0C (10 min) 1 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C |
| Capillary | Innowax FSC | 1589. | Baser, Özek, et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min >220C (10min) => 1C/min => 240C |
| Capillary | Innowax FSC | 1589. | Baser, Özek, et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min >220C (10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1589. | Tunalier, Candan, et al., 2006 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1589. | Demirci, Demirci, et al., 2005 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
| Capillary | HP-Innowax | 1589. | Duman, Kartal, et al., 2005 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | DB-Wax | 1573. | Pala-Paul, Perez-Alonso, et al., 2005 | N2; Program: not specified |
| Capillary | HP-Innowax FSC | 1589. | Demirci, Paper, et al., 2004 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1589. | Kivcak, Akay, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Innowax FSC | 1572. | Baser, Demirci, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1589. | Demirci, Baser, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1589. | Demirci, Dadandi, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax | 1589. | Demirci, Baser, et al., 2002 | 60. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andersen and Falcone, 1969
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Volatile constituents of the essential oil of Nepeta ucrainica L. ssp. kopetdaghensis from Iran,
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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),
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Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
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. [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]
Kurose, Okamura, et al., 2007
Kurose, K.; Okamura, D.; Yatagai, M.,
Composition of the essential oils from the leaves of nine Pinus species and the cones of three of Pinus species,
Flavour Fragr. J., 2007, 22, 1, 10-20, https://doi.org/10.1002/ffj.1609
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Suleimenov, Atazharova, et al., 2003
Suleimenov, E.M.; Atazharova, G.A.; Demirchi, B.; Baser, K.H.C.; Adekenov, S.M.,
Essential oil composition of Artemisia Lercheana and A. Sieversiana of Kazakhstan flora
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Ngassoum, Yonkeu, et al., 1999
Ngassoum, M.B.; Yonkeu, S.; Jirovetz, L.; Buchbauer, G.; Schmaus, G.; Hammerschmidt, F.-J.H.,
Chemical composition of essential oils of Lantana camara leaves and flowers from Cameroon and Madagascar,
Flavour Fragr. J., 1999, 14, 4, 245-250, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<245::AID-FFJ819>3.0.CO;2-X
. [all data]
Molleken U., Sinnwell V., et al., 1998
Molleken U.; Sinnwell V.; Kubeczka K.H.,
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. [all data]
Akin, Saracoglu, et al., 2012
Akin, M.; Saracoglu, H.T.; Demirci, B.; Baser, K.H.C.,
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Rec. Nat. Prod., 2012, 6, 3, 316-320. [all data]
Baser K.H.C. and Demirci B., 2007
Baser K.H.C.; Demirci B.,
Studies on Betula essential oils,
Arkivoc, 2007, 7, 335-348. [all data]
Kaya, Benirci, et al., 2007
Kaya, A.; Benirci, B.; Baser, K.H.C.,
Micromorphology of glandular trichomes of Nepeta congesta Fisch. Mey. var. congesta (LAmiaceae) and chemical analysis of the essential oils,
South African J. Botany, 2007, 73, 1, 29-34, https://doi.org/10.1016/j.sajb.2006.05.004
. [all data]
Baser, Özek, et al., 2006
Baser, K.H.C.; Özek, G.; Özek, T.; Duran, A.; Duman, H.,
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. [all data]
Tunalier, Candan, et al., 2006
Tunalier, Z.; Candan, N.T.; Demirci, B.; Baser, K.H.,
The essential oil composition of Acroptilon repens (L.) DC. of Turkish origin,
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. [all data]
Demirci, Demirci, et al., 2005
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. [all data]
Duman, Kartal, et al., 2005
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The essential oil of Stachys laetivirens Kotschy Boiss. ex Rech. fil., endemic in Turkey,
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. [all data]
Pala-Paul, Perez-Alonso, et al., 2005
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Essential oil composition of the different parts of Eryngium bourgatii Gouan from Spain,
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. [all data]
Demirci, Paper, et al., 2004
Demirci, F.; Paper, D.H.; Demirci, F.; Hüsnü Can Baser, K.; Franz, G.,
Essential oil of Betula pendula Roth. buds,
eCAM, 2004, 1, 3, 301-303. [all data]
Kivcak, Akay, et al., 2004
Kivcak, B.; Akay, S.; Demirci, B.; Baser, K.H.C.,
Chemical composition of essential oils from leaves and twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey,
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. [all data]
Baser, Demirci, et al., 2003
Baser, K.H.C.; Demirci, B.; Dekebo, A.; Dagne, E.,
Essential oils of some Boswellia spp., myrrh and opopanax,
Flavour Fragr. J., 2003, 18, 2, 153-156, https://doi.org/10.1002/ffj.1166
. [all data]
Demirci, Baser, et al., 2003
Demirci, B.; Baser, K.H.C.; Yildiz, B.; Bahcecioglu, Z.,
Composition of the essential oils of six endemic Salvia spp. from Turkey,
Flavour Fragr. J., 2003, 18, 2, 116-121, https://doi.org/10.1002/ffj.1173
. [all data]
Demirci, Dadandi, et al., 2003
Demirci, B.; Dadandi, M.Y.; Paper, D.H.; Franz, G.; Hüsnü Can Baser, K.,
Chemical Composition of the Essential Oil of Phlomis linearis Boiss. Bal., and Biological Effects on the CAM-Assay: A Safety Evaluation,
Z. Naturforsch. C:, 2003, 58, 826-829. [all data]
Demirci, Baser, et al., 2002
Demirci, B.; Baser, K.H.C.; Tümen, G.,
Composition of the essential oil of Salvia aramiensis Rech. fil. growing in Turkey,
Flavour Fragr. J., 2002, 17, 1, 23-25, https://doi.org/10.1002/ffj.1027
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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