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Phenol, 2-methoxy-4-(2-propenyl)-, acetate


Phase change data

Go To: Top, Mass spectrum (electron ionization), 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
554.20.989Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
15.1389.AStephenson and Malanowski, 1987Based on data from 374. - 555. K. See also Stull, 1947.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
374.8 - 555.5.364182782.976-36.986Stull, 1947Coefficents calculated by NIST from author's data.

Mass spectrum (electron ionization)

Go To: Top, Phase change data, 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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Mass 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 Japan AIST/NIMC Database- Spectrum MS-NW-2687
NIST MS number 227549

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Phase change data, 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

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Column type Active phase I Reference Comment
CapillaryBP-11485.Raina, Srivastava, et al., 200125. m/0.55 mm/0.25 «mu»m, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C
CapillaryDB-51525.Tellez, Estell, et al., 199730. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryBP-11482.Raina, Kumar, et al., 200430. m/0.32 mm/0.25 «mu»m, N2, 5. K/min, 220. C @ 13. min; Tstart: 60. C
CapillaryHP-5MS1524.Demetzos, Angelopoulou, et al., 200230. m/0.25 mm/0.25 «mu»m, 50. C @ 5. min, 3. K/min; Tend: 280. C
CapillaryHP-51522.Lazari, Skaltsa, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 50. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryOV-11482.Bicchi, Rubiolo, et al., 199825. m/0.25 mm/0.3 «mu»m, 50. C @ 1. min, 3. K/min, 200. C @ 20. min
CapillaryOV-11482.De Pooter, Omar, et al., 198530. m/0.5 mm/0.8 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 220. C
CapillaryOV-11483.De Pooter, Omar, et al., 198530. m/0.5 mm/0.8 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 220. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryBP-11486.Cavalli, Ranarivelo, et al., 200150. m/0.22 mm/0.25 «mu»m; Program: not specified

Van Den Dool and Kratz RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-Wax2263.Cavalli, Ranarivelo, et al., 200160. m/0.25 mm/0.25 «mu»m; Program: not specified

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCP-Sil 5 CB1523.Ameen, Usman, et al., 201125. m/0.25 mm/0.15 «mu»m, Helium; Tstart: 50. C; Tend: 220. C
CapillarySE-541526.Alma, Ertas, et al., 200730. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 5. min, 2. K/min, 260. C @ 20. min
CapillaryZB-51531.Mohottalage, Tabacchi, et al., 200730. m/0.25 mm/0.25 «mu»m, 60. C @ 5. min, 4. K/min, 220. C @ 20. min
CapillaryFSOT-RSL-2001522.Schmidt, Jirovetz, et al., 200630. m/0.32 mm/0.25 «mu»m, Hydrogen, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryBP-11485.Srivastava, Srivastava, et al., 200530. m/0.32 mm/0.25 «mu»m, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C
CapillaryHP-51524.Simic, Sokovic, et al., 200425. m/0.32 mm/0.52 «mu»m, H2, 4. K/min; Tstart: 40. C; Tend: 240. C
CapillaryDB-11474.Fekam Boyom, Ngouana, et al., 200330. m/0.25 mm/0.25 «mu»m, N2, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryCBP-11484.Ly, Yamauchi, et al., 200125. m/0.25 mm/0.25 «mu»m, Nitrogen, 50. C @ 2. min, 3. K/min; Tend: 210. C
CapillaryDB-11485.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5 MS1520.Arenas, Acevedo, et al., 201130. m/0.25 mm/0.25 «mu»m, Helium; Program: 45 0C (5 min) 4 0C/min -> 150 0C (2 min) 5 0C/min -> 250 0C (5 min) 10 0C/min -> 275 0C (5 min)
CapillaryHP-5 MS1525.Payo, Colo, et al., 2011Program: not specified
CapillaryHP-5 MS1526.Payo, Colo, et al., 2011Program: not specified
CapillaryDB-51524.Yusuf and Bewaji, 2011Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
CapillaryDB-5MS1514.Polzin, Stanfill, et al., 2007Column length: 30. m; Program: not specified
CapillarySE-521523.Tognolini, Barocelli, et al., 200630. m/0.32 mm/0.15 «mu»m, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)
CapillarySE-301541.Vinogradov, 2004Program: not specified
CapillaryCBP-11483.Ly, Yamauchi, et al., 200125. m/0.25 mm/0.25 «mu»m, Nitrogen; Program: not specified
CapillaryDB-11493.Dorman, Figueiredo, et al., 200030. m/0.25 mm/0.25 «mu»m, H2; Program: 40 0C 3 K/min -> 175 0C 15 K/min -> 240 0C (10 min)
CapillaryDB-11493.Baratta, Dorman, et al., 199830. m/0.25 mm/0.25 «mu»m, He; Program: 45C => 3C/min => 175C => 15C/min => 240C (10min)
CapillaryDB-51526.Anitescu, Doneanu, et al., 199715. m/0.25 mm/0.25 «mu»m, He; Program: 40C(5min) => 5C/min => 120C(10min) => 4C/min => 250C(4min) => 5C/min => 280C

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryStabilwax2273.Jirovetz, Buchbauer, et al., 200530. m/0.32 mm/0.5 «mu»m, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillarySupelcowax-102252.Wong, Lee, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min, 220. C @ 30. min
CapillaryDB-Wax2277.Lee and Shibamoto, 200130. m/0.25 mm/0.25 «mu»m, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-20M2263.Chaieb, Hajlaoui, et al., 2007Program: not specified

References

Go To: Top, Phase change data, 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.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Raina, Srivastava, et al., 2001
Raina, V.K.; Srivastava, S.K.; Aggarwal, K.K.; Ramesh, S.; Kumar, S., Essential oil composition of Cinnamomum zeylanicum Blume leaves from Little Andaman, India, Flavour Fragr. J., 2001, 16, 5, 374-376, https://doi.org/10.1002/ffj.1016 . [all data]

Tellez, Estell, et al., 1997
Tellez, M.R.; Estell, R.E.; Fredrickson, E.L.; Havstad, K.M., Essential oil of Dyssodia acerosa DC., J. Agric. Food Chem., 1997, 45, 8, 3276-3278, https://doi.org/10.1021/jf9701502 . [all data]

Raina, Kumar, et al., 2004
Raina, V.K.; Kumar, A.; Srivastava, S.K.; Syamsundar, K.V.; Kahol, A.P., Essential oil composition of 'kewda' (Pandanus odoratissimus) from India, Flavour Fragr. J., 2004, 19, 5, 434-436, https://doi.org/10.1002/ffj.1331 . [all data]

Demetzos, Angelopoulou, et al., 2002
Demetzos, C.; Angelopoulou, D.; Perdetzoglou, D., A comparative study of the essential oils of Cistus salviifolius in several populations of Crete (Greece), Biochem. Syst. Ecol., 2002, 30, 7, 651-665, https://doi.org/10.1016/S0305-1978(01)00145-4 . [all data]

Lazari, Skaltsa, et al., 2000
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T., Volatile constituents of Cerastium candidissimum, a Greek endemic species, Flavour Fragr. J., 2000, 15, 3, 174-176, https://doi.org/10.1002/1099-1026(200005/06)15:3<174::AID-FFJ886>3.0.CO;2-Y . [all data]

Bicchi, Rubiolo, et al., 1998
Bicchi, C.; Rubiolo, P.; Marschall, H.; Weyerstahl, P.; Laurent, R., Constituents of Artemisia roxburghiana Besser essential oil, Flavour Fragr. J., 1998, 13, 1, 40-46, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<40::AID-FFJ688>3.0.CO;2-Z . [all data]

De Pooter, Omar, et al., 1985
De Pooter, H.L.; Omar, M.N.; Coolsaet, B.A.; Schamp, N.M., The Essential Oil of Greater Galanga (Alpinia Galanga) from Malaysia, Phytochemistry, 1985, 24, 1, 93-96, https://doi.org/10.1016/S0031-9422(00)80814-6 . [all data]

Cavalli, Ranarivelo, et al., 2001
Cavalli, J.-F.; Ranarivelo, L.; Ratsimbason, M.; Bernardini, A.-F.; Casanova, J., Constituents of the essential oil of six Helichrysum species from Madagascar, Flavour Fragr. J., 2001, 16, 4, 253-256, https://doi.org/10.1002/ffj.994 . [all data]

Ameen, Usman, et al., 2011
Ameen, O.M.; Usman, L.A.; Oganija, F.S.; Hamid, A.A.; Muhammed, N.O.; Zubair, M.F.; Adebayo, S.A., Chemical composition of leaf essential oil of Annona senegalensis Pers. (Annonaceae) growing in North Central Nigeria, Int. J. Biol. Chem. Sci., 2011, 5, 1, 375-379. [all data]

Alma, Ertas, et al., 2007
Alma, M.H.; Ertas, M.; Nitz, S.; Kollmannsberger, H., Chemical composition and content of essential oil from the bud of cultivated Turkish clove (Syzygium aromaticum L.), BioResources, 2007, 2, 2, 265-269. [all data]

Mohottalage, Tabacchi, et al., 2007
Mohottalage, S.; Tabacchi, R.; Guerin, P.M., Components from Sri Lankan Piper betle L. leaf oil and their analogues showing toxicity against the housefly, Musca domestica, Flavour Fragr. J., 2007, 22, 2, 130-138, https://doi.org/10.1002/ffj.1770 . [all data]

Schmidt, Jirovetz, et al., 2006
Schmidt, E.; Jirovetz, L.; Buchbauer, G.; Eller, G.A.; Stoilova, I.; Krastanov, A.; Stoyanova, A.; Geisseler, M., Composition and antioxidant activities of the essential oil of cinnamon (Cinnamomum zeylanicum Blume) leaves from Sri Lanka, Jeobp, 2006, 9, 2, 170-182. [all data]

Srivastava, Srivastava, et al., 2005
Srivastava, A.K.; Srivastava, S.K.; Syamsundar, K.V., Bud and leaf essential oil composition of Syzygium aromaticum from India and Madagascar, Flavour Fragr. J., 2005, 20, 1, 51-53, https://doi.org/10.1002/ffj.1364 . [all data]

Simic, Sokovic, et al., 2004
Simic, A.; Sokovic, M.D.; Ristic, M.; Grujic-Jovanovic, S.; Vukojevic, J.; Marin, P.D., The chemical composition of some Lauraceae essential oils and their antifungal activities, Phytother. Res., 2004, 18, 9, 713-717, https://doi.org/10.1002/ptr.1516 . [all data]

Fekam Boyom, Ngouana, et al., 2003
Fekam Boyom, F.; Ngouana, V.; Amvam Zollo, P.H.; Menut, C.; Bessiere, J.M.; Gut, J.; Rosenthal, P.J., Composition and anti-plasmodial activities of essential oils from some Cameroonian medicinal plants, Phytochemistry, 2003, 64, 7, 1269-1275, https://doi.org/10.1016/j.phytochem.2003.08.004 . [all data]

Ly, Yamauchi, et al., 2001
Ly, T.N.; Yamauchi, R.; KAto, K., Volatile components of the essential oils in Galanga (Alpina officinarum Hance) from Vietnam, Food Sci. Technol. Res., 2001, 7, 4, 303-306, https://doi.org/10.3136/fstr.7.303 . [all data]

Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F., Volatile components of Rooibos tea (Aspalathus linearis), J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024 . [all data]

Arenas, Acevedo, et al., 2011
Arenas, D.R.M.; Acevedo, A.M.; Mendes, L.Y.V.; Kouznetsov, V.V., Scavenger activity evaluation of the clove bud essential oil (Eugenia caryophyllus) and eugenol derivatives employing ABTS decolorization, Scientia Pharmaceutica, 2011, 79, 4, 779-791, https://doi.org/10.3797/scipharm.1109-11 . [all data]

Payo, Colo, et al., 2011
Payo, D.A.; Colo, J.; Calumpong, H.; de Clerck, O., Variability of non-polar secondary metabolites in the Red Alga Portieria, Mar Drugs, 2011, 9, 11, 2438-2468, https://doi.org/10.3390/md9112438 . [all data]

Yusuf and Bewaji, 2011
Yusuf, O.K.; Bewaji, C.O., Evaluation of essential oils composition of methanolic Allium sativum extract on Trypanosoma brucei infected rats, Res. Pharmaceutical Biotechnol., 2011, 3, 2, 17-21. [all data]

Polzin, Stanfill, et al., 2007
Polzin, G.M.; Stanfill, S.B.; Brown, C.R.; Ashley, D.L.; Watson, C.H., Determination of eugenol, anethole, and coumarin in the mainstream cigarette smoke of Indonesian clove cigarettes, Food Chem. Toxicol., 2007, 45, 10, 1948-1953, https://doi.org/10.1016/j.fct.2007.04.012 . [all data]

Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M., Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity, Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Dorman, Figueiredo, et al., 2000
Dorman, H.J.D.; Figueiredo, A.C.; Barroso, J.G.; Deans, S.G., In vitro evaluation of antioxidant activity of essential oils and their components, Flavour Fragr. J., 2000, 15, 1, 12-16, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<12::AID-FFJ858>3.0.CO;2-V . [all data]

Baratta, Dorman, et al., 1998
Baratta, M.T.; Dorman, H.J.; Deans, S.G.; Figueiredo, A.C.; Barroso, J.G.; Ruberto, G., Antimicrobial and antioxidant properties of some commercial essential oils, Flavour Fragr. J., 1998, 13, 4, 235-244, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<235::AID-FFJ733>3.0.CO;2-T . [all data]

Anitescu, Doneanu, et al., 1997
Anitescu, G.; Doneanu, C.; Radulescu, V., Isolation of Coriander oil: comparison between steam distillation and supercritical CO2 extraction, Flavour Fragr. J., 1997, 12, 3, 173-176, https://doi.org/10.1002/(SICI)1099-1026(199705)12:3<173::AID-FFJ630>3.0.CO;2-1 . [all data]

Jirovetz, Buchbauer, et al., 2005
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]

Wong, Lee, et al., 2005
Wong, K.C.; Lee, B.C.; Lam, N.F.; Ibrahim, P., Essential oils of the rhizomes of Alpinia conchigera Griff. and Alpinia latilabris Ridl., Flavour Fragr. J., 2005, 20, 4, 431-433, https://doi.org/10.1002/ffj.1458 . [all data]

Lee and Shibamoto, 2001
Lee, K.-G.; Shibamoto, T., Antioxidant property of aroma extract isolated from clove buds [Syzygium aromaticum (L.) Merr. et Perry], Food Chem., 2001, 74, 4, 443-448, https://doi.org/10.1016/S0308-8146(01)00161-3 . [all data]

Chaieb, Hajlaoui, et al., 2007
Chaieb, K.; Hajlaoui, H.; Zmantar, T.; Ben Kahla-Nakbi, A.; Rouabhia, M.; Mahdouani, K.; Bakhrouf, A., The chemical composition and biological activity of clove essential oil, Eugenia caryophyllata (Syzigium aromaticum L. Myrtaceae): a short review, Phytoterapy Res., 2007, 21, 6, 501-506, https://doi.org/10.1002/ptr.2124 . [all data]


Notes

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References