5,9-Undecadien-2-one, 6,10-dimethyl-
- Formula: C13H22O
- Molecular weight: 194.3132
- IUPAC Standard InChI: InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3
- IUPAC Standard InChIKey: HNZUNIKWNYHEJJ-UHFFFAOYSA-N
- CAS Registry Number: 689-67-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: 6,10-Dimethyl-5,9-undecadien-2-one; 6,10-Dimethyl-undeca-5,9-dien-2-one; Dihydropseudoionone; α,β-Dihydropseudoionone; NSC 406679; 2,6-Dimethylundeca-2,6-dien-10-one; 6,10-Dimethyl-5,9-undecadiene-2-one; Geranyl acetone
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center |
| State | gas |
| Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, IR Spectrum, 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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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| 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 | Chemical Concepts |
| NIST MS number | 187569 |
Gas Chromatography
Go To: Top, IR Spectrum, 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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Petro | 1427.1 | Pang T., Zhu S., et al., 2007 | 50. m/0.2 mm/0.5 μm, 2. K/min; Tstart: 50. C; Tend: 270. C |
| Capillary | DB-Petro | 1427.1 | Pang T., Zhu S., et al., 2007 | 50. m/0.2 mm/0.5 μm, 2. K/min; Tstart: 50. C; Tend: 270. C |
| Capillary | HP-5 | 1456. | Xian Q., Chen H., et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 220. C @ 20. min; Tstart: 50. C |
| Capillary | SE-54 | 1471.93 | Yin, Xiu, et al., 2001 | 35. C @ 3. min, 4. K/min, 230. C @ 10. min; Column length: 25. m; Column diameter: 0.31 mm |
| Capillary | SE-30 | 1434. | Paramonov, Khalilova, et al., 2000 | 6. K/min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 50. C; Tend: 250. C |
| Capillary | SE-54 | 1433. | Li, Wang, et al., 1998 | H2, 35. C @ 3. min, 4. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tend: 250. C |
| Capillary | SE-54 | 1436. | Li, Wang, et al., 1998 | H2, 35. C @ 3. min, 4. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1460. | Parker, Hassell, et al., 2000 | 50. m/0.32 mm/0.5 μm, He; Program: oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-5 | 1455. | Sebastian, Viallon-Fernandez, et al., 2003 | 60. m/0.32 mm/1.0 μm, Helium, 3. K/min; Tstart: 30. C; Tend: 230. C |
| Capillary | Ultra-2 | 1462. | King, Hamilton, et al., 1993 | 50. m/0.32 mm/0.52 μm, He, 40. C @ 3. min, 4. K/min, 250. C @ 30. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 1453. | Robinson, Adams, et al., 2012 | Program: not specified |
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 1457. | Robinson, Adams, et al., 2012 | Program: not specified |
| Capillary | OV-1 | 1464. | Li, Liang, et al., 2009 | Helium; Column length: 30. m; Column diameter: 0.25 mm; Program: 40 0C 2 0C/min -> 120 0C 10 0C/min -> 230 0C (15 min) |
| Capillary | HP-5 | 1451. | Zhao, Li, et al., 2008 | 30. 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) |
| Capillary | HP-5 | 1463. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
| Capillary | DB-5 MS | 1456. | Cajka, Hajslova, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) |
| Capillary | HP-5 | 1455. | Splivallo, Bossi, et al., 2007 | He; Program: 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min) |
| Capillary | SE-30 | 1473. | Vinogradov, 2004 | Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1430. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1864. | Vernin, Lageot, et al., 2001 | 50. m/0.22 mm/0.25 μm, He, 2. K/min; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1885. | Vinogradov, 2004 | Program: not specified |
References
Go To: Top, IR Spectrum, 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.
Pang T., Zhu S., et al., 2007
Pang T.; Zhu S.; Lu X.; Xu G.,
Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatography,
J. Sep. Sci., 2007, 30, 6, 868-874, https://doi.org/10.1002/jssc.200600471
. [all data]
Xian Q., Chen H., et al., 2006
Xian Q.; Chen H.; Zou H.; Yin D.,
Chemical composition of essential oils of two submerged macrophytes, Ceratophyllum demersum L. and Vallisneria spiralis L.,
Flavour Fragr. J., 2006, 21, 3, 524-526, https://doi.org/10.1002/ffj.1588
. [all data]
Yin, Xiu, et al., 2001
Yin, W.; Xiu, Z.; Aijin, H.,
Analysis of the volatile components in trogopterorum feces by capillary gas chromatography and gas chromatography/mass spectrometry,
Fenxi Huaxue, 2001, 29, 2, 195-198. [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]
Li, Wang, et al., 1998
Li, W.; Wang, H.; Sun, Y.; Huang, A.; Sun, Y.,
Capillary gas chromatographic analysis of volatile components in goat feces,
Fenxi Huaxue, 1998, 26, 8, 935-939. [all data]
Parker, Hassell, et al., 2000
Parker, J.K.; Hassell, G.M.E.; Mottram, D.S.; Guy, R.C.E.,
Sensory and instrumental analyses of volatiles generated during the extrusion cooking of oat flours,
J. Agric. Food Chem., 2000, 48, 8, 3497-3506, https://doi.org/10.1021/jf991302r
. [all data]
Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L.,
Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding,
Sciences des Aliments, 2003, 23, 4, 497-511, https://doi.org/10.3166/sda.23.497-511
. [all data]
King, Hamilton, et al., 1993
King, M.-F.; Hamilton, B.L.; Matthews, M.A.; Rule, D.C.; Field, R.A.,
Isolation and identification of volatiles and condensable material in raw beef with supercritical carbon dioxide extraction,
J. Agric. Food Chem., 1993, 41, 11, 1974-1981, https://doi.org/10.1021/jf00035a030
. [all data]
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
Li, Liang, et al., 2009
Li, X.-R.; Liang, Y.-Z.; Zhou, T.; Zhang, L.-X.; Hu, C.-D.,
Comparative analysis of volatile constituents between recipe jingfangsan and its single herbs by GC-MS combined with alternative moving window factor analysis method,
J. Sep. Sci., 2009, 32, 2, 258-266, https://doi.org/10.1002/jssc.200800574
. [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]
Cajka, Hajslova, et al., 2007
Cajka, T.; Hajslova, J.; Cochran, J.; Holadova, K.; Klimankova, E.,
Solid phase microextraction - comprehensive two dimensional gas chromatography - time-of-flight mass spectrometry for the analysis of honey volatiles,
J. Sep. Sci., 2007, 30, 4, 534-546, https://doi.org/10.1002/jssc.200600413
. [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]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Vernin, Lageot, et al., 2001
Vernin, G.; Lageot, C.; Gaydou, E.M.; Parkanyi, C.,
Analysis of the essential oil of Lippia graveolens HBK from El Salvador,
Flavour Fragr. J., 2001, 16, 3, 219-226, https://doi.org/10.1002/ffj.984
. [all data]
Notes
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
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