α Isomethyl ionone


IR Spectrum

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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: Coblentz Society, Inc.

Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin BUSH BOAKE ALLEN LTD. VIA SCIENTIFIC DOC. CENTRE LTD.
Source reference COBLENTZ NO. 10338
Date Not specified, most likely prior to 1982
Name(s) (3E)-3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
State (NEAT)
Instrument UNICAM SP-200
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30100.1471.8Tudor, 199740. m/0.35 mm/0.35 μm

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M150.1877.Tudor, Moldovan, et al., 1999Phase thickness: 0.45 μm

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

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Column type Active phase I Reference Comment
CapillarySLB-5MS1480.Mondello, Sciarrone, et al., 200710. m/0.1 mm/0.1 μm, 40. K/min; Tstart: 40. C; Tend: 250. C
CapillarySLB-5MS1480.Mondello, Sciarrone, et al., 200710. m/0.1 mm/0.1 μm, 40. K/min; Tstart: 40. C; Tend: 250. C
CapillarySLB-5MS1481.Mondello, Sciarrone, et al., 200710. m/0.1 mm/0.1 μm, 40. K/min; Tstart: 40. C; Tend: 250. C
CapillarySLB-5ms1473.Mondello and Costa, 20067. K/min, 325. C @ 10. min; Tstart: 50. C
CapillarySLB-5ms1474.Mondello and Costa, 20067. K/min, 325. C @ 10. min; Tstart: 50. C
Capillary5 % Phenyl methyl siloxane1470.Mondello and Costa, 20067. K/min, 325. C @ 10. min; Tstart: 50. C
CapillarySE-301478.Paramonov, Khalilova, et al., 20006. K/min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 50. C; Tend: 250. C
CapillaryCP Sil 5 CB1490.Halket and Schulten, 198526. m/0.32 mm/1.25 μm, 10. K/min; Tstart: 100. C; Tend: 250. C
CapillaryCP Sil 5 CB1494.Halket and Schulten, 198526. m/0.32 mm/1.25 μm, 10. K/min; Tstart: 100. C; Tend: 250. C

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

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Column type Active phase I Reference Comment
CapillarySLB-5MS1473.Mondello, Sciarrone, et al., 200730. m/0.25 mm/0.25 μm; Program: not specified

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryBPX-51484.Bieri and Marriott, 200830. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 100. C; Tend: 999. C
CapillaryBPX-51476.Bieri and Marriott, 200830. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 60. C; Tend: 999. C
CapillaryBPX-51481.Bieri and Marriott, 200830. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 60. C; Tend: 999. C
CapillaryBPX-51481.Bieri and Marriott, 200830. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 60. C; Tend: 999. C
CapillaryBPX-51482.Bieri and Marriott, 200830. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 60. C; Tend: 999. C
CapillaryBPX-51486.Bieri and Marriott, 200830. m/0.25 mm/0.25 μm, Hydrogen, 5. K/min; Tstart: 60. C; Tend: 999. C
CapillaryEquity-5 MS1473.Mondello, Casilli, et al., 200830. m/0.25 mm/0.25 μm, Helium, 1.5 K/min; Tstart: 40. C; Tend: 260. C
CapillaryHP-51484.5Leffingwell and Alford, 200560. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min

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

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Column type Active phase I Reference Comment
CapillaryHP-51508.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)
CapillaryHP-51471.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; Program: not specified
CapillaryHP-51479.Splivallo, Bossi, et al., 2007He; Program: 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min)

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-Wax1872.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-Wax1900.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-Wax Etr1848.Loskos, Hernandez-Orte, et al., 200760. m/0.25 mm/0.5 μm, He; Program: 40C(3min) => 10C/min => 90C => 2C/min => 230C (37min)

References

Go To: Top, IR Spectrum, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Tudor, 1997
Tudor, E., Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations, J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6 . [all data]

Tudor, Moldovan, et al., 1999
Tudor, E.; Moldovan, D.; Zârna, N., Temperature dependence of the retention index for perfumery compounds on two carbowax-20M glass capillary columns with different film thickness. 2, Rev. Roum. Chim., 1999, 44, 7, 665-675. [all data]

Mondello, Sciarrone, et al., 2007
Mondello, L.; Sciarrone, D.; Casilli, A.; Tranchida, P.Q.; Dugo, P.; Dugo, G., Fast gas chromatography-full scan quadrupole mass spectrometry for the determination of allergens in fragrances, J. Sep. Sci., 2007, 30, 12, 1905-1911, https://doi.org/10.1002/jssc.200600541 . [all data]

Mondello and Costa, 2006
Mondello, L.; Costa, R., A new generation of GC capillary columns: SLB-5ms, The Reporter (Europe), 2006, 20, March, 17-19. [all data]

Paramonov, Khalilova, et al., 2000
Paramonov, E.A.; Khalilova, A.Z.; Odinokov, V.N.; Khalilov, L.M., Identification and biological activity of volatile organic compounds isolated from plants and insects. III. Chromatography-mass spectrometry of volatile compoundsof Aegopodium podagraria, Chem. Nat. Compd. (Engl. Transl.), 2000, 36, 6, 584-586, https://doi.org/10.1023/A:1017563708858 . [all data]

Halket and Schulten, 1985
Halket, J.M.; Schulten, H.-R., Thick-film capillary column gas chromatography-field ionization mass spectrometry: A complementary technique for the rapid analysis of volatiles, J. Chromatogr., 1985, 322, 200-205, https://doi.org/10.1016/S0021-9673(01)97672-1 . [all data]

Bieri and Marriott, 2008
Bieri, S.; Marriott, P.J., Dual-injection system with multiply injections for determining sidimentional retention indexes in comprehensive two-dimensional gas chromatography, Anal. Chem., 2008, 80, 3, 760-768, https://doi.org/10.1021/ac071367q . [all data]

Mondello, Casilli, et al., 2008
Mondello, L.; Casilli, A.; Tranchida, Q.; Sciarrone, D.; Dugo, P.; Dugo, G., Analysis of allergens in fragrances using multiple heart-cut multidimentional gas chromatography - mass spectrometry, LC-GC Europe, 2008, 21, 130. [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G., EXtraction, preparation and identification of volatile compounds in Changyu XO brandy, Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0 . [all data]

Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P., Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction, Phytochemistry, 2007, 68, 20, 2584-2598, https://doi.org/10.1016/j.phytochem.2007.03.030 . [all data]

Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A., Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection, J. Chromatogr. A, 2012, 1226, 124-139, https://doi.org/10.1016/j.chroma.2012.01.002 . [all data]

Loskos, Hernandez-Orte, et al., 2007
Loskos, N.; Hernandez-Orte, P.; Cacho, J.; Ferreira, V., Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions, J. Agric. Food Chem., 2007, 55, 16, 6674-6684, https://doi.org/10.1021/jf0702343 . [all data]


Notes

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