Ethanone, 1-(1H-pyrrol-2-yl)-
- Formula: C6H7NO
- Molecular weight: 109.1259
- IUPAC Standard InChI: InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
- IUPAC Standard InChIKey: IGJQUJNPMOYEJY-UHFFFAOYSA-N
- CAS Registry Number: 1072-83-9
- 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. - Other names: Ketone, methyl pyrrol-2-yl; Methyl pyrrol-2-yl ketone; 2-Acetylpyrrole; Pyrrole-α-methyl ketone; 1-(1H-pyrrol-2-yl)1-ethanone; 1-(1H-pyrrole-2-yl)-ethanone; 1H-Pyrrole, 2-acetyl; 2-Acetyl-1H-pyrrole; Ethanone, 1-(1H-pyrrole-2-yl)-; Pyrrole, 2-acetyl; 1-(1H-Pyrrol-2-yl)ethanone; 2-Pyrrolyl methyl ketone; 1-(1H-pyrrol-2-yl)ethanone (acetylpyrrole); 2-Acetylpyrrol; 1-(1H-pyrrol-2-yl)ethan-1-one
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Normal alkane RI, non-polar column, temperature ramp
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | HP-5 MS | HP-5 MS | HP-5 MS | Ultra-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.20 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.33 |
| Tstart (C) | 50. | 70. | 70. | 35. | 50. |
| Tend (C) | 250. | 200. | 290. | 195. | 280. |
| Heat rate (K/min) | 5. | 3. | 5. | 2. | 2. |
| Initial hold (min) | 0.5 | 2. | 5. | ||
| Final hold (min) | 0.5 | 18. | 10. | 30. | 20. |
| I | 1061. | 1063. | 1059. | 1060. | 1022. |
| Reference | Fanaro, Duarte, et al., 2012 | Jerkovic and Marijanovic, 2010 | Radulovic, Dordevic, et al., 2010 | Kim and Chung, 2009 | Du, Clery, et al., 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | SLB-5MS | DB-5 | HP-5MS | DB-5 |
| Column length (m) | 50. | 10. | 60. | 30. | 30. |
| Carrier gas | Helium | Helium | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.18 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.33 | 0.18 | 0.25 | 0.25 | |
| Tstart (C) | 50. | 40. | 50. | 50. | 40. |
| Tend (C) | 280. | 295. | 250. | 280. | 240. |
| Heat rate (K/min) | 10. | 10. | 4. | 5. | 4. |
| Initial hold (min) | 1.5 | 5. | 4. | 2. | |
| Final hold (min) | 8.5 | 10. | |||
| I | 1060. | 1098. | 1060. | 1065. | 1072. |
| Reference | Du, Clery, et al., 2008 | Risticevic, Carasek, et al., 2008 | Fadel, Mageed, et al., 2006 | Kim, Abd El-Aty, et al., 2006 | El-Sayed, Heppelthwaite, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-5 | DB-5 | HP-5 |
| Column length (m) | 30. | 50. | 30. | 30. | 50. |
| Carrier gas | Helium | Helium | H2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.52 | ||
| Tstart (C) | 60. | 60. | 60. | 60. | 35. |
| Tend (C) | 240. | 240. | 280. | 240. | 250. |
| Heat rate (K/min) | 2. | 2. | 4. | 3. | 2. |
| Initial hold (min) | 10. | 15. | |||
| Final hold (min) | 999. | 999. | 40. | 45. | |
| I | 1060. | 1060. | 1064. | 1059. | 1067. |
| Reference | Miyazawa, Fuhita, et al., 2004 | Miyazawa, Fujita, et al., 2004 | Pino, Marbot, et al., 2003 | Tellez, Khan, et al., 2002 | Boylston and Viniyard, 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | DB-1 | DB-1 | DB-1 |
| Column length (m) | 60. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 1.0 | 1. | 1.0 | 1. | |
| Tstart (C) | 40. | 40. | 40. | 30. | 40. |
| Tend (C) | 260. | 260. | 280. | 200. | 280. |
| Heat rate (K/min) | 3. | 3. | 2. | 4. | 2. |
| Initial hold (min) | 25. | 2. | |||
| Final hold (min) | 20. | 40. | |||
| I | 1048. | 1047. | 1043. | 1024. | 1035. |
| Reference | Chen and Ho, 1998 | Chen, Wang, et al., 1998 | Tai and Ho, 1998 | Buttery, Ling, et al., 1997 | Lu, Yu, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | DB-1 | DB-1 | DB-1 |
| Column length (m) | 60. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 30. | 50. | 50. | 50. |
| Tend (C) | 260. | 200. | 250. | 250. | 250. |
| Heat rate (K/min) | 2. | 4. | 4. | 4. | 4. |
| Initial hold (min) | 5. | 25. | |||
| Final hold (min) | 60. | 20. | |||
| I | 1051. | 1024. | 1021. | 1022. | 1023. |
| Reference | Yu and Ho, 1995 | Buttery, Stern, et al., 1994 | Flath, Matsumoto, et al., 1989 | Flath, Matsumoto, et al., 1989 | Flath, Matsumoto, et al., 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-1 | DB-5 |
| Column length (m) | 60. | 30. |
| Carrier gas | Hydrogen | |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.35 |
| Phase thickness (μm) | 0.25 | 1.0 |
| Tstart (C) | 50. | 45. |
| Tend (C) | 250. | 220. |
| Heat rate (K/min) | 4. | 2. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1023. | 1075. |
| Reference | Flath, Matsumoto, et al., 1989 | Georgilopoulos and Gallois, 1988 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Fanaro, Duarte, et al., 2012
Fanaro, G.B.; Duarte, R.C.; Santillo, A.G.; Pinto e Silva, M.E.M.; Purgatto, E.; Villavicento, A.L.C.H.,
Evaluation of γ-radiation on oolong tea odor volatiles,
Radiation Phys. Chem., 2012, 81, 8, 1152-1156, https://doi.org/10.1016/j.radphyschem.2011.11.061
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Jerkovic and Marijanovic, 2010
Jerkovic, I.; Marijanovic, Z.,
Oak (Quercus frainetto Ten.) honeydaw honey - approach to screening of volatile organic composition and antioxidant capacity (DPPH and FRAP assay),
Molecules, 2010, 15, 5, 3744-3756, https://doi.org/10.3390/molecules15053744
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Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R.,
Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae),
Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962
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Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y.,
GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit,
J. Korean Soc. Appl. Biol. Chem., 2009, 52, 5, 516-524, https://doi.org/10.3839/jksabc.2009.088
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Du, Clery, et al., 2008
Du, Z.; Clery, R.; Hammond, C.J.,
Volatile organic nitrogen-containing constituents in ambrette seed Abelmoschus moschatus Medik (Malvaceae),
J. Agric. Food Chem., 2008, 56, 16, 7388-7392, https://doi.org/10.1021/jf800958d
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Risticevic, Carasek, et al., 2008
Risticevic, S.; Carasek, E.; Pawliszyn, J.,
Headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric methodology for geographical origin verification of coffee,
Anal. Chim. Acta, 2008, 617, 1-2, 72-84, https://doi.org/10.1016/j.aca.2008.04.009
. [all data]
Fadel, Mageed, et al., 2006
Fadel, H.H.M.; Mageed, M.A.A.; Samad, A.K.M.E.A.; Lotfy, S.N.,
Cocoa substitute: Evaluation of sensory qualities and flavour stability,
Eur. Food Res. Technol., 2006, 223, 1, 125-131, https://doi.org/10.1007/s00217-005-0162-3
. [all data]
Kim, Abd El-Aty, et al., 2006
Kim, M.R.; Abd El-Aty, A.M.; Kim, I.S.; Shim, J.H.,
Determination of volatile flavor components in danggui cultivars by solvent free injection and hydrodistillation followed by gas chromatographic-mass spectrometric analysis,
J. Chromatogr. A, 2006, 1116, 1-2, 259-264, https://doi.org/10.1016/j.chroma.2006.03.060
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El-Sayed, Heppelthwaite, et al., 2005
El-Sayed, A.M.; Heppelthwaite, V.J.; Manning, L.M.; Gibb, A.R.; Suckling, D.M.,
Volatile constituents of fermented sugar baits and their attraction to lepidopteran species,
J. Agric. Food Chem., 2005, 53, 4, 953-958, https://doi.org/10.1021/jf048521j
. [all data]
Miyazawa, Fuhita, et al., 2004
Miyazawa, M.; Fuhita, T.; Yamafuji, C.; Matsui, M.; Kasahara, N.; Takagi, Y.; Ishikawa, Y.,
Chemical composition of volatile oil from the roots of Periploca sepium,
J. Oleo Sci., 2004, 53, 10, 511-513, https://doi.org/10.5650/jos.53.511
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Miyazawa, Fujita, et al., 2004
Miyazawa, M.; Fujita, T.; Yamafuji, C.; Matsui, M.; Kasahara, N.; Takagi, Y.; Ishikawa, Y.,
Chemical composition of volatile oil from the roots of Periploca sepium,
J. Oleo Sci., 2004, 53, 11, 511-513, https://doi.org/10.5650/jos.53.511
. [all data]
Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V.,
Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba,
J. Agric. Food Chem., 2003, 51, 13, 3836-3839, https://doi.org/10.1021/jf020733y
. [all data]
Tellez, Khan, et al., 2002
Tellez, M.R.; Khan, I.A.; Kobaisy, M.; Schrader, K.K.; Dayan, F.E.; Osbrink, W.,
Composition of the essential oil of Lepidium meyenii (Walp.),
Phytochemistry, 2002, 61, 2, 149-155, https://doi.org/10.1016/S0031-9422(02)00208-X
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Boylston and Viniyard, 1998
Boylston, T.D.; Viniyard, B.T.,
Isolation of volatile flavor compounds from peanut butter using purge-and-trap technique
in Instrumental Methods in Food and Beverage Analysis, D. Wetzel and G. Charalambous, ed(s)., 1998, 225-243. [all data]
Chen and Ho, 1998
Chen, J.; Ho, C.-T.,
Volatile compounds formed from thermal degradation of glucosamine in a dry system,
J. Agric. Food Chem., 1998, 46, 5, 1971-1974, https://doi.org/10.1021/jf971021o
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Chen, Wang, et al., 1998
Chen, J.; Wang, M.; Ho, C.-T.,
Volatile compounds generated from thermal degradation of N-acetylglucosamine,
J. Agric. Food Chem., 1998, 46, 8, 3207-3209, https://doi.org/10.1021/jf980129g
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Tai and Ho, 1998
Tai, C.-Y.; Ho, C.-T.,
Influence of glutathione oxidation and pH on thermal formation of Maillard-type volatile compounds,
J. Agric. Food Chem., 1998, 46, 6, 2260-2265, https://doi.org/10.1021/jf971111t
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Buttery, Ling, et al., 1997
Buttery, R.G.; Ling, L.C.; Stern, D.J.,
Studies on popcorn aroma and flavor volatiles,
J. Agric. Food Chem., 1997, 45, 3, 837-843, https://doi.org/10.1021/jf9604807
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Lu, Yu, et al., 1997
Lu, G.; Yu, T.-H.; Ho, C.-T.,
Generation of flavor compounds by the reaction of 2-deoxyglucose with selected amino acids,
J. Agric. Food Chem., 1997, 45, 1, 233-236, https://doi.org/10.1021/jf960609c
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Yu and Ho, 1995
Yu, T.-H.; Ho, C.-T.,
Volatile compounds generated from thermal reaction of methionine and methionine sulfoxide with or without glucose,
J. Agric. Food Chem., 1995, 43, 6, 1641-1646, https://doi.org/10.1021/jf00054a043
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Buttery, Stern, et al., 1994
Buttery, R.G.; Stern, D.J.; Ling, L.C.,
Studies on flavor volatiles of some sweet corn products,
J. Agric. Food Chem., 1994, 42, 3, 791-795, https://doi.org/10.1021/jf00039a038
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Flath, Matsumoto, et al., 1989
Flath, R.A.; Matsumoto, K.E.; Binder, R.G.; Cunningham, R.T.; Mon, T.R.,
Effect of pH on the volatiles of hydrolyzed protein insect baits,
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Georgilopoulos and Gallois, 1988
Georgilopoulos, D.N.; Gallois, A.N.,
Flavour compounds of a commercial concentrated blackberry juice,
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Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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