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Ascaridole


Phase change data

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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: Robert L. Brown and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tfus276.4KN/ABuckingham and Donaghy, 1982 

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference
388.20.020Weast and Grasselli, 1989
312.20.0003Weast and Grasselli, 1989
388.0.020Buckingham and Donaghy, 1982
312. - 313.0.0003Buckingham and Donaghy, 1982

Gas phase ion energetics data

Go To: Top, Phase change data, 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
8.07PEBrown, 1975 
8.42PEBrown, 1976Vertical value

Mass spectrum (electron ionization)

Go To: Top, Phase change data, Gas phase ion energetics 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 A.Swigar, R.Silverstein, Monoterpenes,1981
NIST MS number 292866

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, Gas phase ion energetics 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
CapillaryDB-51238.Lucero, Estell, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1257.Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51247.Jardim, Jham, et al., 201030. m/0.25 mm/0.25 «mu»m, Nitrogen, 60. C @ 1. min, 3. K/min, 240. C @ 9. min
CapillaryDB-51237.Koba, Catherine, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min; Tstart: 50. C; Tend: 250. C
CapillaryBP-11273.Boti, Muselli, et al., 200650. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryHP-5MS1252.Sabulal, Dan, et al., 200630. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 243. C
CapillaryRTX-11221.Cavalli, Tomi, et al., 200460. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C
CapillaryDB-51248.Masotti, Juteau, et al., 200350. m/0.2 mm/0.25 «mu»m, He, 50. C @ 2. min, 3. K/min; Tend: 220. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1245.Bai, Liu, et al., 201130. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C (1 min) 10 0C/min -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min)
CapillarySLB-5 MS1240.Costa, De Fina, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min)
CapillarySLB-5 MS1234.Costa, De Fina, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-5MS1242.Barra A., Coroneo V., et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 60C => 1C/min => 65C => 3C/min => 120C => 5C/min => 180C(5min) => 5C/min => 250C (20min)
CapillarySE-301280.Vinogradov, 2004Program: not specified
PackedOV-1011278.Swigar and Silverstein, 1981N2, Chromosorb G 60-80mesh DMCS; Column length: 2.5 m; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryBP-201860.Boti, Muselli, et al., 200650. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryInnowax FSC1889.Lourens, Reddy, et al., 2004Helium, 60. C @ 10. min, 4. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax1889.Viljoen, van Vuuren, et al., 200360. m/0.25 mm/0.25 «mu»m; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax1889.Baser, Demirci, et al., 200260. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C

References

Go To: Top, Phase change data, Gas phase ion energetics 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.

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

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]

Brown, 1975
Brown, R.S., A photoelectron investigation of the peroxide bond, Can. J. Chem., 1975, 53, 3439. [all data]

Brown, 1976
Brown, R.S., The influence of remote substituents upon ionization potential. Part I. The effect of two allylic oxygens upon the ionization of the «pi»-bond, Can. J. Chem., 1976, 54, 805. [all data]

Lucero, Estell, et al., 2003
Lucero, M.E.; Estell, R.E.; Frederickson, E.L., The essential oil composition of Psorothamnus scoparius (A. Gray) Rydb., J. Essent. Oil Res., 2003, 15, 2, 108-111, https://doi.org/10.1080/10412905.2003.9712083 . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Jardim, Jham, et al., 2010
Jardim, C.M.; Jham, G.N.; Dhingra, O.D.; Freire, M.M., Chemical composition and antifungal activity of the hexane extract of the Brazilian Chenopodium ambrosioides L., J. Braz. Chem. Soc., 2010, 21, 10, 1814-1818, https://doi.org/10.1590/S0103-50532010001000004 . [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]

Boti, Muselli, et al., 2006
Boti, J.B.; Muselli, A.; Tomi, F.; Koukoua, G.; N'Guessan, T.Y.; Costa, J.; Casanova, J., Combined analysis of Cymbopogon giganteus Chiov. leaf oil from Ivory Coast by GC/RI, GC/MS and 13C-NMR, C.R. Chim., 2006, 9, 1, 164-168, https://doi.org/10.1016/j.crci.2005.10.003 . [all data]

Sabulal, Dan, et al., 2006
Sabulal, B.; Dan, M.; Pradeep, N.S.; Valsamma, R.K.; George, V., Composition and antimicrobial activity of essential oil from the fruits of Amomum cannicarpum, Acta Pharm. Sin., 2006, 56, 473-480. [all data]

Cavalli, Tomi, et al., 2004
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J., Combined Analysis of the Essential Oil of Chenopodium ambrosioides by GC, GC-MS and 13C-NMR Spectroscopy: Quantitative Determination of Ascaridole, a Heat-sensitive Compound, Phytochem. Anal., 2004, 15, 5, 275-279, https://doi.org/10.1002/pca.761 . [all data]

Masotti, Juteau, et al., 2003
Masotti, V.; Juteau, F.; Bessière, J.M.; Viano, J., Seasonal and phenological variations of the essential oil from the narrow endemic species Artemisia molinieri and its biological activities, J. Agric. Food Chem., 2003, 51, 24, 7115-7121, https://doi.org/10.1021/jf034621y . [all data]

Bai, Liu, et al., 2011
Bai, C.Q.; Liu, Z.L.; Liu, Q.Z., Nematicidal constituents from the essential oil of Chenopodium ambrosioides aerial parts, E-Journal of Chemistry, 2011, 8, S1, s143-s148, https://doi.org/10.1155/2011/470862 . [all data]

Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L., An investigation on the volatile composition of some Artemisia species from Iran, Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919 . [all data]

Barra A., Coroneo V., et al., 2007
Barra A.; Coroneo V.; Dessi S.; Cabras P.; Angioni A., Characterization of the volatile constituents in the essential oil of Pistacia lentiscus L. from different origins and its antifungal and antioxidant activity, J. Agric. Food Chem., 2007, 55, 17, 7093-7098, https://doi.org/10.1021/jf071129w . [all data]

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

Swigar and Silverstein, 1981
Swigar, A.A.; Silverstein, R.M., Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130. [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]

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]

Baser, Demirci, et al., 2002
Baser, K.H.C.; Demirci, B.; Kirimer, N.; Satil, F.; Tumen, G., The essential oils of Thymus migricus and T. fedtschenkoi var. handelii from Turkey, Flavour Fragr. J., 2002, 17, 1, 41-45, https://doi.org/10.1002/ffj.1036 . [all data]


Notes

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