Ethanone, 1-(2-furanyl)-
- Formula: C6H6O2
- Molecular weight: 110.1106
- IUPAC Standard InChIKey: IEMMBWWQXVXBEU-UHFFFAOYSA-N
- CAS Registry Number: 1192-62-7
- 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, 2-furyl methyl; Acetylfuran; Methyl 2-furyl ketone; 2-Acetylfuran; 2-Furyl methyl ketone; Furyl methyl ketone; Furan, 2-acetyl-; 1-(2-Furanyl)ethanone; 2-Acetylfurane; (2-Furanyl)-1-ethanone; 1-(2-furanyl)ethanone (acetylfuran); 1-(2-Furanyl)-ethanone (2-acetylfuran); 1-(2-Furyl)ethanone
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Van Den Dool and Kratz 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 | Supelcowax-10 | Supelcowax-10 | Stabilwax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 60. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 40C => 3C/min => 100C => 5C/min => 240C(10min) | 35C(0.7min) => 20C/min => 70C => 4C/min => 240C | 30C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
I | 1511. | 1519. | 1507. | 1489. | 1538. |
Reference | Bianchi, Careri, et al., 2007 | Bianchi, Careri, et al., 2007 | Natali N., Chinnici F., et al., 2006 | Ferrari, Lablanquie, et al., 2004 | Radovic, Careri, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | BP-20 | Carbowax | Carbowax | Carbowax |
Column length (m) | 50. | 50. | |||
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.3 | 0.3 | 0.3 |
Phase thickness (μm) | 0.21 | 0.5 | |||
Program | 0C(5min) => fast => 60C(5min) => 4C/min => 220C(20min) | 5 0C (0.5 min) -> (1 min) 60 0C (5 min) 4 0C/min -> 200 0C | not specified | not specified | not specified |
I | 1498. | 1536. | 1487. | 1488. | 1488. |
Reference | Madruga and Mottram, 1998 | Beal and Mottram, 1994 | Baltes w. and Bochmann G., 1987 | Baltes w. and Bochmann G., 1987 | Baltes w. and Bochmann G., 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | Carbowax | Carbowax | Carbowax |
Column length (m) | |||
Carrier gas | |||
Substrate | |||
Column diameter (mm) | 0.3 | 0.3 | 0.3 |
Phase thickness (μm) | |||
Program | not specified | not specified | not specified |
I | 1490. | 1491. | 1494. |
Reference | Baltes w. and Bochmann G., 1987 | Baltes w. and Bochmann G., 1987 | Baltes w. and Bochmann G., 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M.,
Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness,
J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393
. [all data]
Natali N., Chinnici F., et al., 2006
Natali N.; Chinnici F.; Riponi C.,
Characterization of volatiles in extracts from oak chips obtained by accelerated solvent extraction (ASE),
J. Agric. Food Chem., 2006, 54, 21, 8190-8198, https://doi.org/10.1021/jf0614387
. [all data]
Ferrari, Lablanquie, et al., 2004
Ferrari, G.; Lablanquie, O.; Cantagrel, R.; Ledauphin, J.; Payot, T.; Fournier, N.; Guichard, E.,
Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation,
J. Agric. Food Chem., 2004, 52, 18, 5670-5676, https://doi.org/10.1021/jf049512d
. [all data]
Radovic, Careri, et al., 2001
Radovic, B.S.; Careri, M.; Mangia, A.; Musci, M.; Gerboles, M.; Anklam, E.,
Analytical, nutritional, and clinical methods section. Contribution of dynamic headspace GC-MS analysis of aroma compounds to authenticity testing of honey,
Food Chem., 2001, 72, 4, 511-520, https://doi.org/10.1016/S0308-8146(00)00263-6
. [all data]
Madruga and Mottram, 1998
Madruga, M.S.; Mottram, D.S.,
The effect of pH on the formation of volatile compounds produced by heating a model system containing 5'-imp and cysteine,
J. Braz. Chem. Soc., 1998, 9, 3, 261-271, https://doi.org/10.1590/S0103-50531998000300010
. [all data]
Beal and Mottram, 1994
Beal, A.D.; Mottram, D.S.,
Compounds contributing to the characteristic aroma of malted barley,
J. Agric. Food Chem., 1994, 42, 12, 2880-2884, https://doi.org/10.1021/jf00048a043
. [all data]
Baltes w. and Bochmann G., 1987
Baltes w.; Bochmann G.,
Model reactions on roast aroma formation. II. Mass spectrometric identification of furans and furanones from the reaction of serine and threonine with sucrose under the conditions of coffee roasting,
Z. Lebensm. Unters. Forsch., 1987, 184, 179-186. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
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