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, polar column, custom temperature program
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 | DB-Wax | DB-Wax | DB-Wax | Innowax | Carbowax 20M |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | Hydrogen | Hydrogen | He | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.50 | |
| Program | 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C | not specified | 45C(5min) => 5C/min => 150C => 10C/min => 240C (10min) | 40 0C (2 min) 10 0C/min -> 100 0C 3 0C/min -> 160 0C 5 0C/min -> 260 0C (10 min) | not specified |
| I | 1969. | 1949. | 1950. | 1986. | 1935. |
| Reference | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | Krings, Zelena, et al., 2006 | Ito and Mori, 2004 | Vinogradov, 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M | DB-Wax |
| Column length (m) | 30. | ||
| Carrier gas | He | ||
| Substrate | |||
| Column diameter (mm) | 0.25 | ||
| Phase thickness (μm) | |||
| Program | not specified | not specified | not specified |
| I | 1930. | 1930. | 1972. |
| Reference | Vernin, Lageot, et al., 1998 | Vernin, Lageot, et al., 1998 | Hatsuko, Kazuko, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gonzalez-Rios, Suarez-Quiroz, et al., 2007
Gonzalez-Rios, O.; Suarez-Quiroz, M.L.; Boulanger, R.; Barel, M.; Guyot, B.; Guiraud, J.-P.; Schorr-Galindo, S.,
Impact of ecological post-harvest processing of coffee aroma: II Roasted coffee.,
J. Food Composition Analysis, 2007, 20, 3-4, 297-307, https://doi.org/10.1016/j.jfca.2006.12.004
. [all data]
Krings, Zelena, et al., 2006
Krings, U.; Zelena, K.; Wu, S.; Berger, R.G.,
Thin-layer high-vacuum distillation to isolate volatile flavour compounds of cocoa powder,
Eur. Food Res. Technol., 2006, 223, 5, 675-681, https://doi.org/10.1007/s00217-006-0252-x
. [all data]
Ito and Mori, 2004
Ito, K.; Mori, M.,
Formation of pyrazines in aqueous maltose/glucose/fructose-glutamide model systems upon heating at below 100 0C,
Food Sci. Technol. Res., 2004, 10, 2, 199-204, https://doi.org/10.3136/fstr.10.199
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Vernin, Lageot, et al., 1998
Vernin, G.; Lageot, C.; Parkanyi, C.,
GC-MS(EI, PCI, NCI, SIM, ITMS) Data Bank Analysis of Flavors and Fragrances. Kovats indices
in Instrumental Methods on Food and Beverage Analysis, D. Wetzel, G. Charalambous, ed(s)., Elsevier Sci. B.V., Amsterdam, 1998, 245-301. [all data]
Hatsuko, Kazuko, et al., 1992
Hatsuko, S.; Kazuko, H.; Masayoshi, K.; Yoshiaki, I.,
Improvement of quality of likorine extract by heat treatment,
J. Food Sci. Technol., 1992, 39, 11, 976-983, https://doi.org/10.3136/nskkk1962.39.976
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
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