Santolina triene
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChI: InChI=1S/C10H16/c1-6-10(9(4)5)7-8(2)3/h6-7,10H,1,4H2,2-3,5H3
- IUPAC Standard InChIKey: ZQGDEJAPCUGBRH-UHFFFAOYSA-N
- CAS Registry Number: 2153-66-4
- 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. - Other names: 2,5-Dimethyl-3-vinylhexa-1,4-diene; 2,5-Dimethyl-3-vinyl-1,4-hexadiene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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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 | Chemical Concepts |
| NIST MS number | 163075 |
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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 903. | Asfaw, Licence, et al., 2005 | 10. m/0.1 mm/0.1 μm, He, 60. C @ 5. min, 5. K/min, 240. C @ 10. min |
| Capillary | BP-1 | 904. | Srivastava, Ahmad, et al., 2003 | 25. m/0.55 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 901. | Khan, Verma, et al., 2006 | 30. m/0.32 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C (5min) => 3C/min => 245C(5min) |
| Capillary | DB-5MS | 905. | Tuberoso, Kowalczyk, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(5min) => 2C/min => 140C= 5C/min => 250C(5min) |
| Capillary | OV-1 | 903. | El-Shazly, Dorai, et al., 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 44C(4min) => 3C/min => 74C => 6C/min => 134C => 12C/min => 312C |
| Capillary | AT-5 | 904. | Khouri, Usubillaga, et al., 2000 | 60. m/0.25 mm/0.25 μm, He; Program: 60 C 4K/min -> 200 C 10 K/min -> 280 C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-1 | 901. | Muselli, Rossi, et al., 2007 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
| Capillary | SPB-1 | 910. | Blagojevic, Radulovic, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | DB-5 | 909. | Blagojevic, Radulovic, et al., 2006 | 30. m/0.2 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | DB-5 | 908. | Esmaeili, Nematollahi, et al., 2006 | 50. m/0.2 mm/0.32 μm, N2, 60. C @ 3. min, 5. K/min, 220. C @ 5. min |
| Capillary | HP-5MS | 908. | Pino, Mesa, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | HP-5 | 908. | Javidnia, Miri, et al., 2004 | He, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 260. C |
| Capillary | DB-5 | 909. | Bader, Flamini, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 | 910. | Flamini, Luigi Cioni, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | SPB-5 | 908. | Pino, Marbot, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | HP-5 | 914. | Couladis, Tsortanidou, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 380. C |
| Capillary | DB-1 | 905.3 | Helmig, Klinger, et al., 1999 | 60. m/0.32 mm/1. μm, -50. C @ 2. min, 6. K/min; Tend: 175. C |
| Capillary | OV-1 | 905. | Bicchi, Rubiolo, et al., 1998 | 25. m/0.25 mm/0.3 μm, 50. C @ 1. min, 3. K/min, 200. C @ 20. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 906.9 | 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) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 1011. | Muselli, Rossi, et al., 2007 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 907. | Kahriman, Tosun, et al., 2011 | 30. m/0.32 mm/0.25 μm, Helium, 60. C @ 2. min, 3. K/min; Tend: 240. C |
| Capillary | DB-5 | 908. | El-Massry, El-Ghorab, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min, 220. C @ 40. min; Tstart: 35. C |
| Capillary | RTX-1 | 901. | Museli, Pau, et al., 2009 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
| Capillary | RTX-1 | 909. | Museli, Pau, et al., 2009 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
| Capillary | HP-5 MS | 906. | Zhao, Zeng, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 50. C; Tend: 280. C |
| Capillary | DB-5 | 909. | 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 | HP-5MS | 902. | Basta, Pavlovic, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-1 | 902. | Filippi, Lanfranchi, et al., 2006 | 50. m/0.2 mm/0.33 μm, He, 2. K/min, 250. C @ 40. min; Tstart: 60. C |
| Capillary | DB-5 | 907. | Pino, Marbot, et al., 2006 | 30. m/0.25 mm/0.25 μm, Hydrogen, 70. C @ 4. min, 4. K/min; Tend: 280. C |
| Capillary | SPB-5 | 908. | Tornambe, Cornu, et al., 2006 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 230. C @ 2. min |
| Capillary | SPB-5 | 908. | Cornu, Kondjoyan, et al., 2005 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min; Tend: 230. C |
| Capillary | BP-1 | 900. | Blanc, Muselli, et al., 2004 | 50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-5 | 918. | Lopez Arze, Collin, et al., 2004 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 2. K/min, 210. C @ 33. min |
| Capillary | DB-5MS | 900. | Marongiu, Porcedda, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; Tstart: 60. C |
| Capillary | DB-5 | 909. | Rohloff, Mordal, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 2.5 K/min, 220. C @ 6. min; Tstart: 35. C |
| Capillary | DB-5 | 914. | Senatore, Rigano, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 250. C @ 20. min |
| Capillary | DB-5MS | 900. | Cherchi, Deidda, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 907. | Tellez M., Estell R., et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | OV-1 | 901. | Bicchi, Binello, et al., 1999 | 25. m/0.32 mm/0.30 μm, Hydrogen, 50. C @ 1. min, 3. K/min, 200. C @ 10. min |
| Capillary | DB-5 | 908. | Tellez, Estell, et al., 1997 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl polydimethyl siloxane | 901. | Chaverri, Diaz, et al., 2011 | Program: not specified |
| Capillary | HP-5 | 909. | Kahriman, Tosun, et al., 2011 | 30. m/0.32 mm/0.25 μm, Helium; Program: not specified |
| Capillary | BP-5 | 909. | Hashemi, Abolghasemi, et al., 2007 | 30. m/0.32 mm/0.25 μm, He; Program: 60C => 4C/min => 150C => 10C/min => 220C |
| Capillary | HP-1 | 903. | Merle, Verdeguer, et al., 2007 | 30. m/0.2 mm/0.33 μm, He; Program: 60C(5min) => 3C/min => 180C => 20C/min => 280C(10min) |
| Capillary | 5 % Phenyl methylsiloxane | 908. | Serrano, Cornu, et al., 2007 | Program: not specified |
| Capillary | HP-5MS | 910. | Deng, Xu, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => 6C/min => 200C => 10C/min => 270C(10min) |
| Capillary | CP Sil 8 CB | 909. | Judzentiene and Buzelyte, 2006 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) |
| Capillary | 902. | El-Shazily, Hafez, et al., 2004 | Program: not specified | |
| Capillary | SE-30 | 900. | Vinogradov, 2004 | Program: not specified |
| Capillary | CP Sil 5 CB | 905. | Weyerstahl, Marschall, et al., 1997 | N2; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
| Capillary | Methyl Silicone | 900. | Zenkevich, 1996 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 1018. | Museli, Pau, et al., 2009 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
| Capillary | HP-20M | 1027. | Filippi, Lanfranchi, et al., 2006 | 50. m/0.2 mm/0.1 μm, He, 2. K/min, 220. C @ 30. min; Tstart: 60. C |
| Capillary | BP-20 | 1024. | Blanc, Muselli, et al., 2004 | 50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | Supelcowax-10 | 1042. | Lopez Arze, Collin, et al., 2004 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 2. K/min, 210. C @ 33. min |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 1043. | Baser, Demirci, et al., 2001 | 60. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0C |
| Capillary | HP-Innowax | 1043. | Gören, Demirci, et al., 2001 | 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 |
| Capillary | CP-Wax 52CB | 1063. | Vernin, 1991 | Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
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.
Asfaw, Licence, et al., 2005
Asfaw, N.; Licence, P.; Novitskii, A.; Poliakoff, M.,
Green Chemistry in Ethiopia: the cleaner extraction of essential oils from Artemisia afra: a comparison of clean technology with conventional methodology,
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Srivastava, S.K.; Ahmad, A.; Syamsunder, K.V.; Aggarwal, K.K.; Shanuja, S.P.S.,
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Khan, Verma, et al., 2006
Khan, M.; Verma, S.C.; Srivastava, S.K.; Shawl, A.S.; Syamsundar, K.V.; Khanuja, S.P.S.; Kumar, T.,
Essential oil composition of Taxus wallichiana Zucc. from the Northern Himalayan region of India,
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Tuberoso, Kowalczyk, et al., 2005
Tuberoso, C.I.G.; Kowalczyk, A.; Coroneo, V.; Russo, M.T.; Dessì, S.; Cabras, P.,
Chemical Composition and Antioxidant, Antimicrobial, and Antifungal Activities of the Essential Oil of Achillea ligustica All.,
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The essential oil of Espeletia weddellii Sch. Bip. ex Wedd.,
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. [all data]
Rohloff, Mordal, et al., 2004
Rohloff, J.; Mordal, R.; Dragland, S.,
Chemotypical variation of tansy (Tanacetum vulgare L.) from 40 different locations in Norway,
J. Agric. Food Chem., 2004, 52, 6, 1742-1748, https://doi.org/10.1021/jf0352430
. [all data]
Senatore, Rigano, et al., 2004
Senatore, F.; Rigano, D.; de Fusco, R.; Bruno, M.,
Composition of the essential oil from flowerheads of Chrysanthemum coronarium L. (Asteraceae) growing wild in Southern Italy,
Flavour Fragr. J., 2004, 19, 2, 149-152, https://doi.org/10.1002/ffj.1285
. [all data]
Cherchi, Deidda, et al., 2001
Cherchi, G.; Deidda, D.; de Gioannis, B.; Marongiu, B.; Pompei, R.; Porcedda, S.,
Extraction of Santolina insularis essential oil by supercritical carbon dioxide: influence of some process parameters and biological activity,
Flavour Fragr. J., 2001, 16, 1, 35-43, https://doi.org/10.1002/1099-1026(200101/02)16:1<35::AID-FFJ942>3.0.CO;2-Y
. [all data]
Tellez M., Estell R., et al., 2001
Tellez M.; Estell R.; Fredrickson E.; Powell J.; Wedge D.; Schrader K.; Kobaisy M.,
Extracts of Flourensia cernua (L): Volatile constituents and antifungal, antialgal, and antitermite bioactivities,
J. Chem. Ecol., 2001, 27, 11, 2263-2273, https://doi.org/10.1023/A:1012283005014
. [all data]
Bicchi, Binello, et al., 1999
Bicchi, C.; Binello, A.; D'Amato, A.; Rubiolo, P.,
Reliability of Van den Dool retention indices in the analysis of essential oils,
J. Chromatogr. Sci., 1999, 37, 8, 288-294, https://doi.org/10.1093/chromsci/37.8.288
. [all data]
Tellez, Estell, et al., 1997
Tellez, M.R.; Estell, R.E.; Frederickson, E.L.; Havstad, K.M.,
Essntial oil of Flourensia cernua DC,
J. Essent. Oil Res., 1997, 9, 6, 619-624, https://doi.org/10.1080/10412905.1997.9700799
. [all data]
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]
Hashemi, Abolghasemi, et al., 2007
Hashemi, P.; Abolghasemi, M.M.; Fakhari, A.R.; Ebrahimi, S.N.; Ahmadi, S.,
Hydrodistillation-Solvent Microextraction and GC-MS Identification of Volatile Components of Artemisia aucheri,
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. [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]
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]
Deng, Xu, et al., 2006
Deng, C.; Xu, X.; Yao, N.; Li, N.; Zhang, X.,
Rapid determination of essential oil compounds in Artemisia Selengensis Turcz by gas chromatography-mass spectrometry with microwave distillation and simultaneous solid-phase microextraction,
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. [all data]
Judzentiene and Buzelyte, 2006
Judzentiene, A.; Buzelyte, J.,
Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania,
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El-Shazily, Hafez, et al., 2004
El-Shazily, A.M.; Hafez, S.S.; Wink, M.,
Comparative study of the essential oils and extracts of Achillea fragrantissima (Forssk.) Sch. Bip. and Achillea santolina L. (Asteraceae) from Egypt,
Pharmazie, 2004, 59, 226-230. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Weyerstahl, Marschall, et al., 1997
Weyerstahl, P.; Marschall, H.; Seelmann, I.; Rustaiyan, A.,
Constituents of the essential oil of Achillea eriophora DC,
Flavour Fragr. J., 1997, 12, 2, 71-78, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<71::AID-FFJ620>3.0.CO;2-E
. [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]
Baser, Demirci, et al., 2001
Baser, K.H.C.; Demirci, B.; Tabanca, N.; Özek, T.; Gören, N.,
Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. fil.) Grierson and the enantiomeric distribution of camphor and carvone,
Flavour Fragr. J., 2001, 16, 3, 195-200, https://doi.org/10.1002/ffj.977
. [all data]
Gören, Demirci, et al., 2001
Gören, N.; Demirci, B.; Baser, K.H.C.,
Composition of the essential oils of Tanacetum spp. from Turkey,
Flavour Fragr. J., 2001, 16, 3, 191-194, https://doi.org/10.1002/ffj.976
. [all data]
Vernin, 1991
Vernin, G.,
Volatile constituents of the essential oil of Santolina chamaecyparissus L.,
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. [all data]
Notes
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