Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-


Normal alkane RI, 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 CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Innowax FSCInnowaxHP InnowaxHP InnowaxHP-20M
Column length (m) 60.60.60.50.25.
Carrier gas Helium  HeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.200.20
Phase thickness (μm) 0.250.330.330.250.20
Program 60 0C (10 min) 4 0C/min -> 220 0C 1 0C/min -> 240 0Cnot specifiednot specified40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min)30 0C (1 min) 50 0C/min -> 110 0C 1.5 0C/min -> 145 0C 4 0C/min -> 220 0C (10 min)
I 1786.1784.1784.1784.1727.
ReferenceBardakci, Demirci, et al., 2012Noorizadeh, Farmany, et al., 2011Noorizadeh and Farmany, 2010Mancini, Arnold, et al., 2009Zellner, Amorim, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxInnowax FSCHP Innowax FSPInnowax FSCHP-Innowax FSC
Column length (m) 50.60.60.60.60.
Carrier gas HeHeN2HeN2
Substrate      
Column diameter (mm) 0.20.250.250.250.25
Phase thickness (μm) 0.20.250.250.250.25
Program 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
I 1784.1786.1786.1786.1786.
ReferenceFormisano, Mignola, et al., 2007Tabanca, Demirci, et al., 2007Tabanca N., Demirci B., et al., 2007Baser K.H.C., Ozek G., et al., 2006Demirci B., Baser K.H.C., et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-Innowax FSCHP-InnowaxHP-Innowax FSCHP-Innowax FSCSupelcowax-10
Column length (m) 60.50.60.60.30.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.250.20.250.250.25
Phase thickness (μm) 0.250.20.250.250.25
Program 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C40C(5min) => 2C/min => 250C (15min) => 10C/min => 270C60(10min) => 4C/min => 220C(10min) => 1C/min => 240C60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C40C(3min) => 4C/min => 75C => 8C/min => 260C(5min)
I 1786.1784.1786.1786.1786.
ReferenceKürkçüoglu, Hüsnü Can Baser, et al., 2006Senatore, Apostolides Arnold, et al., 2006Suleimenov Y.M., Atazhanova G.A., et al., 2006Tabanca, Demirci, et al., 2006Vichi, Guadayol, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxHP-Innowax FSCHP-InnowaxHP-Innowax FSCHP-Innowax FSC
Column length (m) 60.60.60.60.60.
Carrier gas N2N2N2HeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
I 1786.1786.1786.1786.1786.
ReferenceDemirci, Demirci, et al., 2005Demirci, Demirci, et al., 2005, 2Duman, Kartal, et al., 2005Sezik E., Kocakulak E., et al., 2005Viljoen, Subramoney, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Innowax FSCHP-InnowaxCarbowax 20MCarbowax 20MInnowax
Column length (m) 60.50.  60.
Carrier gas He   He
Substrate      
Column diameter (mm) 0.250.2  0.25
Phase thickness (μm) 0.250.2  0.25
Program 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240Cnot specifiednot specifiednot specified60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C (20min)
I 1786.1784.1786.1787.1786.
ReferenceBaser, Özek, et al., 2004Senatore, Apostolides Arnold, et al., 2004Vinogradov, 2004Vinogradov, 2004Tunaher, Kirimer, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxInnowax FSCHP-InnowaxCarbowax 20MHP-Innowax
Column length (m) 60.60.60. 60.
Carrier gas  HeHeH2He
Substrate      
Column diameter (mm) 0.250.250.25 0.25
Phase thickness (μm) 0.250.250.25 0.25
Program 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0Cnot specified60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
I 1786.1786.1786.1774.1786.
ReferenceViljoen, van Vuuren, et al., 2003Baser, Demirei, et al., 2002Baser, Demirci, et al., 2001Gallori, Bilia, et al., 2001Gören, Demirci, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase InnowaxHP-InnowaxInnowax FSCInnowax FSCDB-Wax
Column length (m) 60.60.60.60.30.
Carrier gas HeHeHeHeliumHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C25C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C
I 1786.1786.1786.1786.1781.
ReferenceÖzcan, Akgül, et al., 2001Tabanca, Kirimer, et al., 2001Kirimer, Tabanca, et al., 2000Kirimer, Tabanca, et al., 1999Caldentey, Daria Fumi, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase DB-WaxPolyethylene GlycolPolyethylene GlycolCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.
Column length (m) 60.  50.
Carrier gas N2  Hydrogen
Substrate     
Column diameter (mm)    0.32
Phase thickness (μm) 0.25   
Program not specifiednot specifiednot specifiednot specified
I 1781.1760.1761.1762.
ReferenceWeyerstahl, Marschall, et al., 1998Vernin, Metzger, et al., 1990Vernin, Metzger, et al., 1990Waggott and Davies, 1984
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, 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.

Bardakci, Demirci, et al., 2012
Bardakci, H.; Demirci, B.; Yesilada, E.; Kirmizibekmez, H.; Naser, K.H.C., Chemical composition of the essential oil of the subterranean parts of Valeriana alliariifolia, Rec. Nat. Prod., 2012, 6, 1, 89-92. [all data]

Noorizadeh, Farmany, et al., 2011
Noorizadeh, H.; Farmany, A.; Noorizadeh, M., Quantitative structure-retention relationships analysis of retention index of essential oils, Quim. Nova, 2011, 34, 2, 242-249, https://doi.org/10.1590/S0100-40422011000200014 . [all data]

Noorizadeh and Farmany, 2010
Noorizadeh, H.; Farmany, A., Exploration of linear and nonlinear modeling techniques to predict of retention index of essential oils, J. Chin. Chem. Soc., 2010, 1268-1277. [all data]

Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F., Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon, Molecules, 2009, 14, 11, 4725-4736, https://doi.org/10.3390/molecules14114725 . [all data]

Zellner, Amorim, et al., 2009
Zellner, B.D.; Amorim, A.C.L.; de Miranda A.L.P.; Alves, R.J.V.; Barbosa, J.P.; da Costa, G.L.; Rezende, C.M., Screening of the odor-activity and bioactiovity of the essential oils of leaves and flowers of Hyptis Passerina Mart. from the Brazilian Cerrado, J. Braz. Chem. Soc., 2009, 20, 2, 322-332, https://doi.org/10.1590/S0103-50532009000200018 . [all data]

Formisano, Mignola, et al., 2007
Formisano, C.; Mignola, E.; Rigano, D.; Senatore, F.; Bellone, G.; Bruno, M.; Rosselli, S., Chemical composition and antimicrobial activity of the essential oil from aerial parts of Micromeria fruticulosa (Bertol.) Grande (Lamiaceae) growing wild in Southern Italy, Flavour Fragr. J., 2007, 22, 4, 289-292, https://doi.org/10.1002/ffj.1795 . [all data]

Tabanca, Demirci, et al., 2007
Tabanca, N.; Demirci, F.; Demirci, B.; Wedge, D.E.; Baser, K.H.C., Composition, enantiomeric distribution, and antimicrobial activity of Tanacetum argenteum subsp. ?abellifolium essential oil, J. Pharm. Biomed. Anal., 2007, 45, 5, 714-719, https://doi.org/10.1016/j.jpba.2007.08.006 . [all data]

Tabanca N., Demirci B., et al., 2007
Tabanca N.; Demirci B.; Crockett S.L.; Baser K.H.C.; Wedge D.E., Chemical composition and antifungal activity of Arnica longifolia, Aster hesperius, and Chrysothamnus nauseosus essential oils, J. Agric. Food Chem., 2007, 55, 21, 8430-8435, https://doi.org/10.1021/jf071379c . [all data]

Baser K.H.C., Ozek G., et al., 2006
Baser K.H.C.; Ozek G.; Ozek T.; Duran A., Composition of the essential oil of Centaurea huber-morathii Wagenitz isolated from seeds by microdistillation, Flavour Fragr. J., 2006, 21, 3, 568-570, https://doi.org/10.1002/ffj.1620 . [all data]

Demirci B., Baser K.H.C., et al., 2006
Demirci B.; Baser K.H.C.; Tabanca N.; Wedge D.E., Characterization of volatile constituents of Haplopappus greenei and studies on the antifungal activity against phytopathogens, J. Agric. Food Chem., 2006, 54, 8, 3146-3150, https://doi.org/10.1021/jf053222v . [all data]

Kürkçüoglu, Hüsnü Can Baser, et al., 2006
Kürkçüoglu, M.; Hüsnü Can Baser, K.; Iscan, G.; Malyer, H.; Kaynak, G., Composition and anticandidal activity of the essential oil of Chaerophyllum byzantinum Boiss., Flavour Fragr. J., 2006, 21, 1, 115-117, https://doi.org/10.1002/ffj.1539 . [all data]

Senatore, Apostolides Arnold, et al., 2006
Senatore, F.; Apostolides Arnold, N.; Piozzi, F.; Formisano, C., Chemical composition of the essential oil of Salvia microstegia Boiss. et Balansa growing wild in Lebanon, J. Chromatogr. A, 2006, 1108, 2, 276-278, https://doi.org/10.1016/j.chroma.2006.01.066 . [all data]

Suleimenov Y.M., Atazhanova G.A., et al., 2006
Suleimenov Y.M.; Atazhanova G.A.; Ozek T.; Demirci B.; Kulyyasov A.T.; Adekenov S.M.; Baser K.H.C., Essential oil composition of three species of Achillea from Kazakhstan, Chem. Nat. Compd. (Engl. Transl.), 2006, 37, 5, 447-450, https://doi.org/10.1023/A:1014471326724 . [all data]

Tabanca, Demirci, et al., 2006
Tabanca, N.; Demirci, B.; Ozek, T.; Kirimer, N.; Can Baser, K.H.; Bedir, E.; Khan, I.A.; Wedge, D.E., Gas chromatographic-mass spectrometric analysis of essential oils from Pimpinella species gathered from Central and Northern Turkey, J. Chromatogr. A, 2006, 1117, 2, 194-205, https://doi.org/10.1016/j.chroma.2006.03.075 . [all data]

Vichi, Guadayol, et al., 2006
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Demirci, Demirci, et al., 2005
Demirci, B.; Demirci, F.; Baser, K.H.C., Headspace-SPME and hydrodistillation of two fragrant Artemisia sp., Flavour Fragr. J., 2005, 20, 4, 395-398, https://doi.org/10.1002/ffj.1426 . [all data]

Demirci, Demirci, et al., 2005, 2
Demirci, B.; Demirci, F.; Dönmez, A.A.; Franz, G.; Paper, D.H.; Baser, K.H.C., Effects of Salvia essential oils on the chorioallantoic membrane (CAM) assay, Pharm. Biol., 2005, 43, 8, 666-671, https://doi.org/10.1080/13880200500383397 . [all data]

Duman, Kartal, et al., 2005
Duman, H.; Kartal, M.; Altun, L.; Demirci, B.; Baser, K.H.C., The essential oil of Stachys laetivirens Kotschy Boiss. ex Rech. fil., endemic in Turkey, Flavour Fragr. J., 2005, 20, 1, 48-50, https://doi.org/10.1002/ffj.1362 . [all data]

Sezik E., Kocakulak E., et al., 2005
Sezik E.; Kocakulak E.; Baser K.H.C.; Ozek T., Composition of the essential oils of Juniperus oxycedrus subsp macrocarpa from Turkey, Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 3, 352-354, https://doi.org/10.1007/s10600-005-0149-0 . [all data]

Viljoen, Subramoney, et al., 2005
Viljoen, A.M.; Subramoney, S.; van Vuuren, S.F.; Baser, K.H.C.; Demirci, B., The composition, geographical variation and antimicrobial activity of Lippia javanica (Verbenaceae) leaf essential oils, J. Ethnopharmacol., 2005, 96, 1-2, 271-277, https://doi.org/10.1016/j.jep.2004.09.017 . [all data]

Baser, Özek, et al., 2004
Baser, K.H.C.; Özek, T.; Kirimer, N.; Deliorman, D.; Ergun, F., Composition of the essential oils of Galium aparine L. and Galium odoratum (L.) Scop. from Turkey, J. Essent. Oil Res., 2004, 16, 4, 305-307, https://doi.org/10.1080/10412905.2004.9698728 . [all data]

Senatore, Apostolides Arnold, et al., 2004
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Viljoen, van Vuuren, et al., 2003
Viljoen, A.; van Vuuren, S.; Ernst, E.; Klepser, M.; Demirci, B.; Baser, H.; van Wyk, B.-E., Osmitopsis asteriscoides (Asteraceae)-the antimicrobial activity and essential oil composition of a Cape-Dutch remedy, J. Ethnopharmacol., 2003, 88, 2-3, 137-143, https://doi.org/10.1016/S0378-8741(03)00191-0 . [all data]

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Gallori, Bilia, et al., 2001
Gallori, S.; Bilia, A.R.; Mulinacci, N.; Bicchi, C.; Rubiolo, P.; Vincieri, F.F., Identification of volatile constituents of Tambourissa leptophylla, Planta Medica, 2001, 67, 3, 290-292, https://doi.org/10.1055/s-2001-12001 . [all data]

Gören, Demirci, et al., 2001
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Özcan, Akgül, et al., 2001
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Tabanca, Kirimer, et al., 2001
Tabanca, N.; Kirimer, N.; Demirci, B.; Demirci, F.; Can Baser, K.H., Composition and antimicrobial activity of the essential oils of Micromeria cristata subsp. phrygia and the enantiomeric distribution of borneol, J. Agric. Food Chem., 2001, 49, 9, 4300-4303, https://doi.org/10.1021/jf0105034 . [all data]

Kirimer, Tabanca, et al., 2000
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Kirimer, N.; Tabanca, N.; Ozek, T.; Basher, K.H.C.; Tumen, G., Composition of essential oils from two endemic Sideritis species of Turkey, Chem. Natural Comp., 1999, 35, 1, 61-64, https://doi.org/10.1007/BF02238211 . [all data]

Caldentey, Daria Fumi, et al., 1998
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Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Subba, G.C., Constituents of the essential oil from the rhizomes of Hedychium gardnerianum Roscoe, Flavour Fragr. J., 1998, 13, 6, 377-388, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<377::AID-FFJ755>3.0.CO;2-F . [all data]

Vernin, Metzger, et al., 1990
Vernin, G.; Metzger, J.; Suon, K.-N.; Fraisse, D.; Ghiglione, C.; Hamoud, A.; Parkanyi, C/, GC-MS-SPECMA bank analysis of essential oils and aromas. GC-MS (EI-PCI) data bank analysis of sesquiterpenic compounds in Juniper needle oil - application of the mass fragmentometry SIM technique, Lebensm.-Wiss. u.-Technol., 1990, 23, 25-33. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]


Notes

Go To: Top, Normal alkane RI, polar column, custom temperature program, References