Acetic acid, 2-phenylethyl ester

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Normal alkane RI, polar column, temperature ramp

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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 VF-Wax MSDB-WaxInnowaxDB-WaxCP-Wax 57 CB
Column length (m) 60.30.30.30.50.
Carrier gas HeliumHeliumHeliumHeliumHydrogen
Substrate      
Column diameter (mm) 0.250.320.250.250.25
Phase thickness (μm) 0.250.250.250.250.20
Tstart (C) 60. 40.40.35.
Tend (C) 220.240.250.230.150.
Heat rate (K/min) 3.6.6.3.4.
Initial hold (min) 5. 1.2.5.
Final hold (min) 25.5.4.5.17.5
I 1810.1810.1828.1812.1800.
ReferenceDuarte, Dias, et al., 2010Mallia, Escher, et al., 2009Seo, Kim, et al., 2009Zhao, Xu, et al., 2009Callejon, Morales, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase InnowaxDB-WaxDB-WaxDB-WaxDB-Wax Etr
Column length (m) 30.30.30.30.60.
Carrier gas  HeHeN2He
Substrate      
Column diameter (mm) 0.250.250.320.320.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 40.40.40.40.40.
Tend (C) 200.230.230.230.230.
Heat rate (K/min) 10.4.4.6.2.
Initial hold (min) 5.2.2.2.5.
Final hold (min) 15.5.15.15.100.
I 1815.1801.1801.1812.1828.
ReferenceKaypak and Avsar, 2008Xu, Fan, et al., 2007Fan and Qian, 2006Fan and Qian, 2006, 2Ibarz, Ferreira, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxDB-WaxHP-InnowaxStabilwaxStabilwax
Column length (m) 30.30.30.30.30.
Carrier gas HeN2HeH2 
Substrate      
Column diameter (mm) 0.250.320.250.320.32
Phase thickness (μm) 0.50.250.250.50.5
Tstart (C) 40.40.40.40.40.
Tend (C) 200.230.240.280.280.
Heat rate (K/min) 2.4.5.6.6.
Initial hold (min) 3.2.5.5.5.
Final hold (min) 15.5.15.5.5.
I 1807.1807.1808.1786.1785.
ReferenceKomes, Ulrich, et al., 2006Fan and Qian, 2005Isogai, Utsunomiya, et al., 2005Jirovetz, Buchbauer, et al., 2005Jirovetz, Buchbauer, et al., 2005, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase InnowaxDB-WaxInnowax FSCDB-WaxDB-Wax
Column length (m) 60.60.60.30.30.
Carrier gas HeHeHeliumHeH2
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (μm) 0.250.25 0.250.5
Tstart (C) 60.40.60.40.40.
Tend (C) 240.220.220.185.200.
Heat rate (K/min) 5.3.4.4.4.
Initial hold (min)  5.10.4.5.
Final hold (min) 30.  20. 
I 1822.1827.1838.1809.1837.
ReferenceJoichi, Yomogida, et al., 2005López, Ezpeleta, et al., 2004Lourens, Reddy, et al., 2004Lee and Noble, 2003López, Ortín, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxFFAPDB-WaxSupelcowax-10
Column length (m) 60.60.30.60.30.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.250.250.320.250.32
Phase thickness (μm) 0.25 1.0.250.25
Tstart (C) 40.60.35.40.70.
Tend (C) 220.180.240.200.240.
Heat rate (K/min) 3.3.5.2.5.
Initial hold (min) 10.4.3. 8.
Final hold (min) 10.   20.
I 1813.1821.1778.1798.1771.
ReferenceHayata, Sakamoto, et al., 2002Ito, Sugimoto, et al., 2002Lecanu, Ducruet, et al., 2002Wei, Mura, et al., 2001Kim, Kim, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10DB-WaxDB-WaxCarbowax 20MHP-Innowax
Column length (m) 60.30.60.60.25.
Carrier gas HeH2HeHe 
Substrate      
Column diameter (mm) 0.250.320.250.320.25
Phase thickness (μm) 0.250.50.250.5 
Tstart (C) 60.60.40.40.35.
Tend (C) 280.245.200.190.250.
Heat rate (K/min) 4.3.2.2.4.
Initial hold (min)  3.2.5. 
Final hold (min)  20.   
I 1799.1808.1811.1851.1803.
ReferenceKorány, Mednyánszky, et al., 2000Kotseridis and Baumes, 2000Umano, Hagi, et al., 2000Lopez, Ferreira, et al., 1999Ong and Acree, 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10Carbowax 20MCarbowax 20MDB-WaxHP-Innowax
Column length (m) 60.60.60.30.25.
Carrier gas H2HeHeN2 
Substrate      
Column diameter (mm) 0.320.320.320.250.32
Phase thickness (μm) 0.50.50.50.25 
Tstart (C) 35.40.40.45.35.
Tend (C) 250.190.190.220.250.
Heat rate (K/min) 5.2.2.3.4.
Initial hold (min) 5.5.5.  
Final hold (min) 20.    
I 1862.1851.1851.1829.1803.
ReferenceCampeanu, Burcea, et al., 1998Ferreira, Ardanuy, et al., 1998Ferreira, Lopez, et al., 1998Mölleken, Sinnwell, et al., 1998Ong and Acree, 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxPEG-20MDB-WaxSupelcowax-10Carbowax 20M
Column length (m) 60.60.60.60.60.
Carrier gas H2HeHeHe 
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (μm) 0.25  0.25 
Tstart (C) 60.70.50.40.60.
Tend (C) 220.210.200.200.180.
Heat rate (K/min) 3.3.3.3.2.
Initial hold (min)    3.4.
Final hold (min)   40.30. 
I 1796.1822.1828.1839.1788.
ReferenceWerkhoff, Güntert, et al., 1998Awano, Honda, et al., 1997Wada and Shibamoto, 1997Wong and Lai, 1996Kawakami, Ganguly, et al., 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillary
Active phase Carbowax 20MDB-WaxDB-Wax
Column length (m) 50.60.60.
Carrier gas HeHeHe
Substrate    
Column diameter (mm) 0.250.320.32
Phase thickness (μm)  0.250.25
Tstart (C) 60.30.30.
Tend (C) 180.180.180.
Heat rate (K/min) 2.2.2.
Initial hold (min) 4.4.4.
Final hold (min)    
I 1788.1794.1794.
ReferenceKawakami, Kobayashi, et al., 1993Takeoka and Butter, 1989Takeoka and Butter, 1989
Comment 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.

Duarte, Dias, et al., 2010
Duarte, W.F.; Dias, D.R.; Oliveira, J.M.; Teixeira, J.A.; de Almeida e Silva, J.B.; Schwan, R.F., Characterization of different fruit wines made from cacao,cupuassu, gabiroba, jaboticaba and umbu, Food Sci. Technol., 2010, 43, 1564-1572. [all data]

Mallia, Escher, et al., 2009
Mallia, S.; Escher, F.; Dubois, S.; Schieberle, P.; Schlichtherle-Cerny, H., Characterization and quantification of odor-active compounds in unsaturated fatty acid/conjugated linoleic acid (UFA/CLA)-enriched butter and in conventional butter during storage and induced oxidation, J. Agric. Food Chem., 2009, 57, 16, 7464-7472, https://doi.org/10.1021/jf9002158 . [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]

Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W., Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry, J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x . [all data]

Callejon, Morales, et al., 2008
Callejon, R.M.; Morales, M.L.; Ferreira, A.C.S.; Troncoso, A.M., Defining the typical aroma of sherry vinegar: sensory and chemical approach, J. Agric. Food Chem., 2008, 56, 17, 8086-8095, https://doi.org/10.1021/jf800903n . [all data]

Kaypak and Avsar, 2008
Kaypak, D.; Avsar, Y.K., Volatile and odor-active compounds of tuzlu yoghurt, Asian J. Chem., 2008, 20, 5, 3641-3648. [all data]

Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C., Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction, J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732 . [all data]

Fan and Qian, 2006
Fan, W.; Qian, M.C., Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis, J. Agric. Food Chem., 2006, 54, 7, 2695-2704, https://doi.org/10.1021/jf052635t . [all data]

Fan and Qian, 2006, 2
Fan, W.; Qian, M.C., Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry, Flavour Fragr. J., 2006, 21, 2, 333-342, https://doi.org/10.1002/ffj.1621 . [all data]

Ibarz, Ferreira, et al., 2006
Ibarz, M.J.; Ferreira, V.; Hernández-Orte, P.; Loscos, N.; Cacho, J., Optimization and evaluation of a procedure for the gas chromatographic-mass spectrometric analysis of the aromas generated by fast acid hydrolysis of flavor precursors extracted from grapes, J. Chromatogr. A, 2006, 1116, 1-2, 217-229, https://doi.org/10.1016/j.chroma.2006.03.020 . [all data]

Komes, Ulrich, et al., 2006
Komes, D.; Ulrich, D.; Lovric, T., Characterization of odor-active compounds in Croatian Rhine Riesling wine, subregion Zagorje, Eur. Food Res. Technol., 2006, 222, 1-2, 1-7, https://doi.org/10.1007/s00217-005-0094-y . [all data]

Fan and Qian, 2005
Fan, W.; Qian, M.C., Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors, J. Agric. Food Chem., 2005, 53, 20, 7931-7938, https://doi.org/10.1021/jf051011k . [all data]

Isogai, Utsunomiya, et al., 2005
Isogai, A.; Utsunomiya, H.; Kanda, R.; Iwata, H., Changes in the Aroma Compounds of Sake during Aging, J. Agric. Food Chem., 2005, 53, 10, 4118-4123, https://doi.org/10.1021/jf047933p . [all data]

Jirovetz, Buchbauer, et al., 2005
Jirovetz, L.; Buchbauer, G.; Ngassoum, M.B.; Parmentier, M., Chemical composition and olfactory characterization of essential oils of fruits and seeds of African pear (Dacryodes edulis (G. Don) H. J. Lam) from Cameroon, Flavour Fragr. J., 2005, 20, 2, 215-218, https://doi.org/10.1002/ffj.1324 . [all data]

Jirovetz, Buchbauer, et al., 2005, 2
Jirovetz, L.; Buchbauer, G.; Stoyanova, A.; Balinova, A.; Guangjiun, Z.; Xihan, M., Solid phase microextraction/gas chromatographic and olfactory analysis of the scent and fixative properties of the essential oil of Rosa damascena L. from China, Flavour Fragr. J., 2005, 20, 1, 7-12, https://doi.org/10.1002/ffj.1375 . [all data]

Joichi, Yomogida, et al., 2005
Joichi, A.; Yomogida, K.; Awano, K.; Ueda, Y., Volatile components of tea-scented modern roses and ancient Chinese roses, Flavour Fragr. J., 2005, 20, 2, 152-157, https://doi.org/10.1002/ffj.1388 . [all data]

López, Ezpeleta, et al., 2004
López, R.; Ezpeleta, E.; Sánchez, I.; Cacho, J.; Ferreira, V., Analysis of the aroma intensities of volatile compounds released from mild acid hydrolysates of odourless precursors extracted from Tempranillo and Grenache grapes using gas chromatography-olfactometry, Food Chem., 2004, 88, 1, 95-103, https://doi.org/10.1016/j.foodchem.2004.01.025 . [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]

Lee and Noble, 2003
Lee, S.-J.; Noble, A.C., Characterization of odor-active compounds in Californian Chardonnay wines using GC-olfactometry and GC-mass spectrometry, J. Agric. Food Chem., 2003, 51, 27, 8036-8044, https://doi.org/10.1021/jf034747v . [all data]

López, Ortín, et al., 2003
López, R.; Ortín, N.; Pérez-Trujillo, J.P.; Cacho, J.; Ferreira, V., Impact odorants of different young white wines from the Canary islands, J. Agric. Food Chem., 2003, 51, 11, 3419-3425, https://doi.org/10.1021/jf026045w . [all data]

Hayata, Sakamoto, et al., 2002
Hayata, Y.; Sakamoto, T.; Kozuka, H.; Sakamoto, K.; Osajima, Y., Analysis of aromatic volatile compounds in 'Miyabi' melon (Cucumis melo L.) using the Porapak Q column, J. Jpn. Soc. Hortic. Sci., 2002, 71, 4, 517-525, https://doi.org/10.2503/jjshs.71.517 . [all data]

Ito, Sugimoto, et al., 2002
Ito, Y.; Sugimoto, A.; Kakuda, T.; Kubota, K., Identification of potent odorants in Chinese jasmine green tea scented with flowers of Jasminum sambac, J. Agric. Food Chem., 2002, 50, 17, 4878-4884, https://doi.org/10.1021/jf020282h . [all data]

Lecanu, Ducruet, et al., 2002
Lecanu, L.; Ducruet, V.; Jouquand, C.; Gratadoux, J.J.; Feigenbaum, A., Optimization of headspace solid-phase microextraction (SPME) for the odor analysis of surface-ripened cheese, J. Agric. Food Chem., 2002, 50, 13, 3810-3817, https://doi.org/10.1021/jf0117107 . [all data]

Wei, Mura, et al., 2001
Wei, A.; Mura, K.; Shibamoto, T., Antioxidative activity of volatile chemicals extracted from beer, J. Agric. Food Chem., 2001, 49, 8, 4097-4101, https://doi.org/10.1021/jf010325e . [all data]

Kim, Kim, et al., 2000
Kim, H.-J.; Kim, K.; Kim, N.-S.; Lee, D.-S., Determination of floral fragrances of Rosa hybrida using solid-phase trapping-solvent extraction and gas chromatography-mass spectrometry, J. Chromatogr. A, 2000, 902, 2, 389-404, https://doi.org/10.1016/S0021-9673(00)00863-3 . [all data]

Korány, Mednyánszky, et al., 2000
Korány, K.; Mednyánszky, Zs.; Amtmann, M., Preliminary results of a recognition method visualizing the aroma and fragrance features, Acta Aliment., 2000, 29, 2, 187-198, https://doi.org/10.1556/AAlim.29.2000.2.9 . [all data]

Kotseridis and Baumes, 2000
Kotseridis, Y.; Baumes, R., Identification of impact odorants in Bordeaux red grape juice, in the commercial yeast used for its fermentation, and in the produced wine, J. Agric. Food Chem., 2000, 48, 2, 400-406, https://doi.org/10.1021/jf990565i . [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]

Lopez, Ferreira, et al., 1999
Lopez, R.; Ferreira, V.; Hernandez, P.; Cacho, J.F., Identification of impact odorants of young red wines made with Merlot, Cabernet Sauvignon and Grenache grape varieties: a comparative study, J. Sci. Food Agric., 1999, 79, 11, 1461-1467, https://doi.org/10.1002/(SICI)1097-0010(199908)79:11<1461::AID-JSFA388>3.0.CO;2-K . [all data]

Ong and Acree, 1999
Ong, P.K.C.; Acree, T.E., Similarities in the aroma chemistry of Gewürztraminer variety wines and lychee (Litchi chinesis Sonn.) fruit, J. Agric. Food Chem., 1999, 47, 2, 665-670, https://doi.org/10.1021/jf980452j . [all data]

Campeanu, Burcea, et al., 1998
Campeanu, G.; Burcea, M.; Doneanu, C.; Namolosanu, I.; Visan, L., GC/MS characterization of the volatiles isolated from the wines obtained from the indigenous cultivar Feteasca Regala, Analusis, 1998, 26, 2, 93-97, https://doi.org/10.1051/analusis:1998117 . [all data]

Ferreira, Ardanuy, et al., 1998
Ferreira, V.; Ardanuy, M.; López, R.; Cacho, J.F., Relationship between flavor dilution values and odor unit values in hydroalcoholic solutions: role of volatility and a practical rule for its estimation, J. Agric. Food Chem., 1998, 46, 10, 4341-4346, https://doi.org/10.1021/jf980144l . [all data]

Ferreira, Lopez, et al., 1998
Ferreira, V.; Lopez, R.; Escudero, A.; Cacho, J.F., The Aroma of Red Wine: Hierarchy Grenache and Nature of its Main Odorants, J. Sci. Food Agric., 1998, 77, 2, 259-267, https://doi.org/10.1002/(SICI)1097-0010(199806)77:2<259::AID-JSFA36>3.0.CO;2-Q . [all data]

Mölleken, Sinnwell, et al., 1998
Mölleken, U.; Sinnwell, V.; Kubeczka, K.-H., Essential oil composition of Smyrnium olusatrum, Phytochemistry, 1998, 49, 6, 1709-1714, https://doi.org/10.1016/S0031-9422(98)00195-2 . [all data]

Ong and Acree, 1998
Ong, P.K.C.; Acree, T.E., Gas chromatography/olfactory analysis of lychee (Litchi chinesis Sonn.), J. Agric. Food Chem., 1998, 46, 6, 2282-2286, https://doi.org/10.1021/jf9801318 . [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]

Awano, Honda, et al., 1997
Awano, K.; Honda, T.; Ogawa, T.; Suzuki, S.; Matsunaga, Y., Volatile components of Phalaenopsis schilleriana Rehb. f., Flavour Fragr. J., 1997, 12, 5, 341-344, https://doi.org/10.1002/(SICI)1099-1026(199709/10)12:5<341::AID-FFJ657>3.0.CO;2-L . [all data]

Wada and Shibamoto, 1997
Wada, K.; Shibamoto, T., Isolation and identification of volatile compounds from a wine using solid phase extraction, gas chromatography, and gas chromatography/mass spectrometry, J. Agric. Food Chem., 1997, 45, 11, 4362-4366, https://doi.org/10.1021/jf970157j . [all data]

Wong and Lai, 1996
Wong, K.C.; Lai, F.Y., Volatile constituents from the fruits of four Syzygium species grown in Malaysia, Flavour Fragr. J., 1996, 11, 1, 61-66, https://doi.org/10.1002/(SICI)1099-1026(199601)11:1<61::AID-FFJ539>3.0.CO;2-1 . [all data]

Kawakami, Ganguly, et al., 1995
Kawakami, M.; Ganguly, S.N.; Banerjee, J.; Kobayashi, A., Aroma composition of oolong tea and black tea by brewed extraction method and characterizing compounds of Darjeeling tea aroma, J. Agric. Food Chem., 1995, 43, 1, 200-207, https://doi.org/10.1021/jf00049a037 . [all data]

Kawakami, Kobayashi, et al., 1993
Kawakami, M.; Kobayashi, A.; Kator, K., Volatile constituents of Rooibos tea (Aspalathus linearis) as affected by extraction process, J. Agric. Food Chem., 1993, 41, 4, 633-636, https://doi.org/10.1021/jf00028a023 . [all data]

Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G., Volatile constituents of pineapple (Ananas Comosus [L.] Merr.) in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [all data]


Notes

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