Phenol, 2-methyl-5-(1-methylethyl)-

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Normal alkane RI, 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 CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-WaxTC-WaxSupelcowax 10InnowaxHP-Innowax
Column length (m) 60.60.30.30.50.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.220.250.250.250.20
Phase thickness (μm) 0.25 0.250.250.20
Tstart (C) 60.40.50.40.45.
Tend (C) 230.230.200.250.190.
Heat rate (K/min) 2.3.5.6.4.
Initial hold (min)  3. 1.2.
Final hold (min) 5.  4.50.
I 2224.2222.2229.2235.2201.
ReferenceBendiabdellah, El Amine Dib, et al., 2012Miyazawa, Fujita, et al., 2010Koba, Catherine, et al., 2009Seo, Kim, et al., 2009Soria, Sanz, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxHP-InnowaxInnowaxInnowaxBP-20
Column length (m) 30.30.30.30.50.
Carrier gas HeliumHeN2N2 
Substrate      
Column diameter (mm) 0.250.250.250.250.22
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 40.60.50.50.60.
Tend (C) 250.240.280.280.220.
Heat rate (K/min) 2.2.9.9.2.
Initial hold (min) 5. 3.3. 
Final hold (min)  20.3.3.20.
I 2239.2201.2239.2239.2212.
ReferenceFormisano, Rigano, et al., 2007Hachicha, Skanji, et al., 2007Abdelwahed, Hayder, et al., 2006Abdelwahed, Hayder, et al., 2006Boti, Yao, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBHP-WaxHP-20MNB-20MInnowax
Column length (m) 30.30.30.30.50.
Carrier gas HeNitrogenN2HeHe
Substrate      
Column diameter (mm) 0.320.250.250.20.2
Phase thickness (μm) 0.250.250.250.250.5
Tstart (C) 60.50.50.50.60.
Tend (C) 220.280.250.250.250.
Heat rate (K/min) 3.35.5.2.2.
Initial hold (min) 7.    
Final hold (min) 3.5.10. 60.
I 2233.2221.2221.2220.2190.
ReferenceHymete, Rohloff, et al., 2006Marzouk, Mansour, et al., 2006Marzouk, Neffati, et al., 2006Orav, Raal, et al., 2006Bendimerad and Bendiab, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MDB-WaxBP-20DB-WaxInnowax FSC
Column length (m) 50.30.50.60.60.
Carrier gas HeliumHe N2Helium
Substrate      
Column diameter (mm) 0.250.250.220.250.25
Phase thickness (μm) 0.250.250.250.25 
Tstart (C) 40.50.60.70.60.
Tend (C) 190.180.220.230.220.
Heat rate (K/min) 4.3.2.2.4.
Initial hold (min) 2.  2.10.
Final hold (min) 30.40.20.20. 
I 2189.2206.2210.2227.2239.
Referencede la Fuente, Martinez-Castro, et al., 2005Lee, Umano, et al., 2005Blanc, Muselli, et al., 2004Choi, 2004Lourens, Reddy, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxHP-InnowaxDB-WaxInnowaxPEG-20M
Column length (m) 60.50.60.60.50.
Carrier gas HeHeHeliumHeHe
Substrate      
Column diameter (mm) 0.320.20.250.250.2
Phase thickness (μm) 0.250.2   
Tstart (C) 35.45.70.60.70.
Tend (C) 220.190.210.220.220.
Heat rate (K/min) 3.4.2.4.2.
Initial hold (min)  2. 10. 
Final hold (min)  50.60.10. 
I 2220.2236.2215.2239.2186.
ReferencePalá-Paúl, Brophy, et al., 2004Soria, Gonzalez, et al., 2004Mookdasanit, Tamura, et al., 2003Suleimenov, Atazharova, et al., 2003Orav and Kann, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase InnowaxInnowaxDB-WaxDB-WaxHP Innowax FSP
Column length (m) 60.60.60.60.60.
Carrier gas HeHeNitrogenHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.25 0.250.25
Tstart (C) 60.60.40.40.60.
Tend (C) 220.220.200.200.220.
Heat rate (K/min) 4.4.2.2. 
Initial hold (min) 10.10.10.2.10.
Final hold (min) 10.10.  10.
I 2239.2240.2217.2210.2246.
ReferenceBaser, Özek, et al., 2000Baser, Özek, et al., 2000Tamura, Boonbumrung, et al., 2000Umano, Hagi, et al., 2000Kaya, Baser, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase InnowaxHP-InnowaxFFAPDB-WaxSupelcowax
Column length (m) 60.60.25.60.60.
Carrier gas HeHeHeN2He
Substrate      
Column diameter (mm) 0.250.250.2 0.25
Phase thickness (μm) 0.250.25 0.25 
Tstart (C) 60.60.70.60.80.
Tend (C) 220.220.210.220.240.
Heat rate (K/min)   3.5.5.
Initial hold (min) 10.10.10.  
Final hold (min)      
I 2246.2246.2235.2229.2205.
ReferenceKaya, Baser, et al., 1999, 2Kaya, Baser, et al., 1999, 3Mockute and Bernotiene, 1999Weyerstahl, Marschall, et al., 1999Näf and Velluz, 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-Innowax FSCDB-WaxHP-Innowax FSCTC-WaxDB-Wax
Column length (m) 60.60.60.60.60.
Carrier gas HeH2He He
Substrate      
Column diameter (mm) 0.250.320.250.250.25
Phase thickness (μm) 0.250.25  0.25
Tstart (C) 60.60.60.80.50.
Tend (C) 220.220.240.240.180.
Heat rate (K/min) 4.3.4.3.2.5
Initial hold (min) 10. 10.5.5.
Final hold (min) 10. 10.  
I 2246.2223.2246.2229.2177.
ReferenceTümen, Baser, et al., 1998Werkhoff, Güntert, et al., 1998Baser, Kirimer, et al., 1997Shuichi, Masazumi, et al., 1996Stashenko, Puertas, et al., 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryPacked
Active phase Carbowax 20MDB-WaxCarbowax 20MCarbowax 20M
Column length (m) 45.30.25.2.
Carrier gas Hydrogen  Hydrogen
Substrate    Gas-Chrom Z (80-100 mesh)
Column diameter (mm) 0.320.320.30 
Phase thickness (μm) 1.0   
Tstart (C) 60.70.40.65.
Tend (C) 200.200.220.220.
Heat rate (K/min) 2.4.2.4.
Initial hold (min) 5.2.5. 
Final hold (min)     
I 2199.2240.2200.2181.
ReferenceKollmannsberger, Nitz, et al., 1992Wyllie, Brophy, et al., 1990Nykanen, 1986Stancher and Pertoldi, 1967
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, 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.

Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A., Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria, Chem. Centr. J., 2012, 6, 48, 1-22. [all data]

Miyazawa, Fujita, et al., 2010
Miyazawa, N.; Fujita, A.; Kubota, K., Aroma character impact compounds in Kinokuni Mandarin Orange (Citrus kinikuni) compared with Satsuma Mandarin Orange, Biosci. Biotechnol. Biochem., 2010, 74, 4, 835-842, https://doi.org/10.1271/bbb.90937 . [all data]

Koba, Catherine, et al., 2009
Koba, K.; Catherine, G.; Raynaud, C.; Chaumont, J.-P.; Sanda, K.; Laurence, N., Chemical composition and cytotoxic activity of Chenopodium ambrosioides L. essential oil from Togo, Bangladesh J. Sci. Ind. Res., 2009, 44, 4, 435-440. [all data]

Seo, Kim, et al., 2009
Seo, S.-M.; Kim, J.; Lee, S.-G.; Shin, C.-H.; Shin, S.-C.; Park, I.-K., Fumigant antitermitic activity of plant essential oils and components from Aiowan (Trachyspermum ammi), Allspice (Pimenta dioica), Caraway (Carum carvi), Dill (Anethum graveolens), Geranium (Pelargonium graveolens), and Litsea (Litsea cubeba( oils against Japanese termite (Reticulitermes speratus Kolbe), J. Agric. Food Chem., 2009, 57, 15, 6596-6602. [all data]

Soria, Sanz, et al., 2008
Soria, A.C.; Sanz, J.; Martinez-Castro, I., SPME followed by GC-MS: a powerful technique for qualitative analysis of honey volatiles, Eur. Food Res. Technol., 2008, 1-12. [all data]

Formisano, Rigano, et al., 2007
Formisano, C.; Rigano, D.; Napolitano, F.; Senatore, F.; Arnold, N.A.; Piozzi, F.; Rosselli, S., Volatile constituents of Calamintha ariganifolia Boiss. growing wild in Lebanon, Natural Product Communications, 2007, 2, 12, 1253-1256. [all data]

Hachicha, Skanji, et al., 2007
Hachicha, S.F.; Skanji, T.; Barrek, S.; Ghrabi, Z.G.; Zarrouk, H., Composition of the essential oil of Teucrium ramosissimum Desf. (Lamiaceae) from Tunisia, Flavour Fragr. J., 2007, 22, 2, 101-104, https://doi.org/10.1002/ffj.1764 . [all data]

Abdelwahed, Hayder, et al., 2006
Abdelwahed, A.; Hayder, N.; Kilani, S.; Mahmoud, A.; Chibani, J.; Hammami, M.; Chekir-Ghedira, L.; Ghedira, K., Chemical composition and antimicrobial activity of essential oils from Tunisian Pituranthos tortuosus (Coss.) Maire, Flavour Fragr. J., 2006, 21, 1, 129-133, https://doi.org/10.1002/ffj.1542 . [all data]

Boti, Yao, et al., 2006
Boti, J.B.; Yao, P.A.; Koukoua, G.; N'Guessan, T.Y.; Casanova, J., Components and chemical variability of Isolona campanulata Engler Diels leaf oil, Flavour Fragr. J., 2006, 21, 1, 166-170, https://doi.org/10.1002/ffj.1555 . [all data]

Hymete, Rohloff, et al., 2006
Hymete, A.; Rohloff, J.; Iversen, T.-H., Essential oil from seeds and husks of Aframomum corrorima from Ethiopia, Flavour Fragr. J., 2006, 21, 4, 642-644, https://doi.org/10.1002/ffj.1634 . [all data]

Marzouk, Mansour, et al., 2006
Marzouk, Z.; Mansour, H.B.; Chraief, I.; Mosrati, R.; Cheriaa, J.; Neffati, A.; Marzouk, B.; Sfari, M.; Boukef, K.; Barillies, D.; Ghedira, L.C., Chemical composition, antibacterial and antimutagenic activities of four populations of Rosmarinus officinalis L. oils from Tunisia, J. Food Agriculture Environment, 2006, 4, 2, 89-94. [all data]

Marzouk, Neffati, et al., 2006
Marzouk, Z.; Neffati, A.; Marzouk, B.; Chraief, I.; Fathia, K.; Ghedira, L.C.; Boukef, K., Chemical composition and antibacterial and antimutagenic activity of Tunisian Rosmarinus officinalis L. oil from Kasrine, Journal of Food, Agriculture Environment, 2006, 4, 34, 61-65. [all data]

Orav, Raal, et al., 2006
Orav, A.; Raal, A.; Arak, E.; Müürisepp, M.; Kailas, T., Composition of the essential oil of Artemisia absinthium L. of different geographical origin, Proc. Est. Acad. Sci. Chem., 2006, 55, 3, 155-165. [all data]

Bendimerad and Bendiab, 2005
Bendimerad, N.; Bendiab, S.A.T., Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria, J. Agric. Food Chem., 2005, 53, 8, 2947-2952, https://doi.org/10.1021/jf047937u . [all data]

de la Fuente, Martinez-Castro, et al., 2005
de la Fuente, E.; Martinez-Castro, I.; Sanz, J., Characterization of Spanish unifloral honeys by solid phase microextraction and gas chromatography-mass spectrometry, J. Sep. Sci., 2005, 28, 9-10, 1093-1100, https://doi.org/10.1002/jssc.200500018 . [all data]

Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G., Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties, Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056 . [all data]

Blanc, Muselli, et al., 2004
Blanc, M.-C.; Muselli, A.; Bradesi, P.; Casanova, J., Chemical composition and variability of the essential oil of Inula graveolens from Corsica, Flavour Fragr. J., 2004, 19, 4, 314-319, https://doi.org/10.1002/ffj.1304 . [all data]

Choi, 2004
Choi, H.-S., Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME, J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p . [all data]

Lourens, Reddy, et al., 2004
Lourens, A.C.U.; Reddy, D.; Baser, K.H.C.; Viljoen, A.M.; Van Vuuren, S.F., In vitro Biological Activity and Essential Oil Composition of Four Indigenous South Africal Helichrysum Species, J. Ethnopharmacol., 2004, 95, 2-3, 253-258, https://doi.org/10.1016/j.jep.2004.07.027 . [all data]

Palá-Paúl, Brophy, et al., 2004
Palá-Paúl, J.; Brophy, J.J.; Goldsack, R.J.; Fontaniella, B., Analysis of the volatile components of Lavandula canariensis (L.) Mill., a Canary Islands endemic species, growing in Australia, Biochem. Syst. Ecol., 2004, 32, 1, 55-62, https://doi.org/10.1016/S0305-1978(03)00177-7 . [all data]

Soria, Gonzalez, et al., 2004
Soria, A.C.; Gonzalez, M.; de Lorenzo, C.; Martinez-Castro, I.; Sanza, J., Characterization of artisanal honeys from Madrid (Central Spain) on the basis of their melissopalynological, physicochemical and volatile composition data, Food Chem., 2004, 85, 1, 121-130, https://doi.org/10.1016/j.foodchem.2003.06.012 . [all data]

Mookdasanit, Tamura, et al., 2003
Mookdasanit, J.; Tamura, H.; Yoshizawa T.; Tokunaga T.; Nakanishi, K., Trace Volatile Compounds in Essential Oil of Citrus Sudachi by Means of Modified Solvent Extraction Method, Food Sci Technol. Res., 2003, 9, 1, 54-61, https://doi.org/10.3136/fstr.9.54 . [all data]

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 in Recent problems of development of new medicines of natural origin, Proceedings of symposium, St.Petersburg - Pushkin, 2003, 382-385. [all data]

Orav and Kann, 2001
Orav, A.; Kann, J., Determination of peppermint and orange aroma compounds in food and beverages, Proc. Est. Acad. Sci. Chem., 2001, 50, 4, 217-225. [all data]

Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Kürkcüoglu, M.; Aytac, Z.; Duman, H., Composition of the essential oils of Zosima absinthifolia (Vent.) Link and Ferula elaeochytris Korovin from Turkey, Flavour Fragr. J., 2000, 15, 6, 371-372, https://doi.org/10.1002/1099-1026(200011/12)15:6<371::AID-FFJ919>3.0.CO;2-Z . [all data]

Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W., Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand, Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68 . [all data]

Umano, Hagi, et al., 2000
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T., Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.), J. Agric. Food Chem., 2000, 48, 8, 3463-3469, https://doi.org/10.1021/jf0001738 . [all data]

Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Koca, F., Essential oils of Acinos troodi (Post) Leblebici subsp. vardaranus Leblebici and subsp. grandiflorus Hartvig Strid, Flavour Fragr. J., 1999, 14, 1, 50-54, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<50::AID-FFJ783>3.0.CO;2-7 . [all data]

Kaya, Baser, et al., 1999, 2
Kaya, A.; Baser, K.H.C.; Demirci, B.; Koca, F., The essential oil of Acinos alpinus (L.) Moench growing in Turkey, Flavour Fragr. J., 1999, 14, 1, 55-59, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<55::AID-FFJ784>3.0.CO;2-Q . [all data]

Kaya, Baser, et al., 1999, 3
Kaya, A.; Baser, K.H.C.; Tümen, G.; Koca, F., The essential oil of Acinos suaveolens (Sm.) G. Don fil. Acinos arvensis (Lam.) Dandy and Acinos rotundifolius Pers. growing wild in Turkey, Flavour Fragr. J., 1999, 14, 1, 60-64, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<60::AID-FFJ785>3.0.CO;2-0 . [all data]

Mockute and Bernotiene, 1999
Mockute, D.; Bernotiene, G., The main citral-geraniol and carvacrol chemotypes of the essential oil of Thymus pulegioides L. growing wild in Vilnius district (Lithuania), J. Agric. Food Chem., 1999, 47, 9, 3787-3790, https://doi.org/10.1021/jf980987c . [all data]

Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Rustaiyan, A., Constituents of the essential oil of Tanacetum (syn. Chrysanthemum) fruticulosum Ledeb. from Iran, Flavour Fragr. J., 1999, 14, 2, 112-120, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<112::AID-FFJ786>3.0.CO;2-1 . [all data]

Näf and Velluz, 1998
Näf, R.; Velluz, A., Phenols and lactones in Italo-Mitcham peppermint oil Mentha × piperita L., Flavour Fragr. J., 1998, 13, 3, 203-208, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<203::AID-FFJ725>3.0.CO;2-0 . [all data]

Tümen, Baser, et al., 1998
Tümen, G.; Baser, K.H.C.; Demirci, B.; Ermin, N., The essential oils of Satureja coerulea Janka and Thymus aznavourii Velen., Flavour Fragr. J., 1998, 13, 1, 65-67, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<65::AID-FFJ695>3.0.CO;2-Q . [all data]

Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J., Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits, J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s . [all data]

Baser, Kirimer, et al., 1997
Baser, K.H.C.; Kirimer, N.; Duman, H., Composition of the essential oil of Micromeria dolichodontha P. H. Davis, Flavour Fragr. J., 1997, 12, 4, 289-291, https://doi.org/10.1002/(SICI)1099-1026(199707)12:4<289::AID-FFJ640>3.0.CO;2-A . [all data]

Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F., Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki, Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]

Stashenko, Puertas, et al., 1996
Stashenko, E.E.; Puertas, M.A.; Combariza, M.Y., Volatile secondary metabolites from Spilanthes americana obtained by simultaneous steam distillation--solvent extraction and supercritical fluid extraction, J. Chromatogr. A, 1996, 752, 1-2, 223-232, https://doi.org/10.1016/S0021-9673(96)00480-3 . [all data]

Kollmannsberger, Nitz, et al., 1992
Kollmannsberger, H.; Nitz, S.; Drawert, F., UBer die Aromastoffzusammensetzung von Hochdruckextrakten. I. Pfeffer (Piper nigrum, Var. muntok), Z. Lebensm. Unters Forsch., 1992, 194, 6, 545-551, https://doi.org/10.1007/BF01185481 . [all data]

Wyllie, Brophy, et al., 1990
Wyllie, S.G.; Brophy, J.J.; Sarafis, V.; Hobbs, M., Volatile Components of the Fruit of Pistacia Lentiscus, J. Food. Sci., 1990, 55, 5, 1325-1326, https://doi.org/10.1111/j.1365-2621.1990.tb03926.x . [all data]

Nykanen, 1986
Nykanen, I., High Resolution Gas Chromatographic - Mass Spectrometric determination of the Flavour Composition of Wild Majoram (Origanum vulgare L.) Cultivated in Finland, Z. Lebensm Unters Forsch, 1986, 183, 4, 267-272, https://doi.org/10.1007/BF01087742 . [all data]

Stancher and Pertoldi, 1967
Stancher, B.; Pertoldi, M.G., Characterization of commercial materials used in synthetic essential oil production. Identification and gas-chromatographic determination of impurities, Rassegna chimica, 1967, 19, 3, 99-109. [all data]


Notes

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