2-Heptanone
- Formula: C7H14O
- Molecular weight: 114.1855
- IUPAC Standard InChIKey: CATSNJVOTSVZJV-UHFFFAOYSA-N
- CAS Registry Number: 110-43-0
- 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: n-Amyl methyl ketone; n-Pentyl methyl ketone; Amyl methyl ketone; Butylacetone; Heptan-2-one; Methyl amyl ketone; Methyl n-amyl ketone; Methyl n-pentyl ketone; Methyl pentyl ketone; Pentyl methyl ketone; n-C5H11COCH3; 2-Ketoheptane; Amyl-methyl-cetone; Ketone, methyl pentyl; Methyl-amyl-cetone; UN 1110; Ketone C-7; 2-Heptanal; Heptanone-2; NSC 7313
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Van Den Dool and Kratz RI, non-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 | HP-5MS | DB-5 | DB-5 | DB-5 | HP-5 |
Column length (m) | 30. | 30. | 30. | 60. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.2 |
Phase thickness (μm) | 0.25 | 1. | 1. | 1. | 0.5 |
Program | 5C(8min) => 3C/min => 20C => 10C/min => 150C(10min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40C (2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40C(4min) => 2C/min => 90C => 4C/min => 130C 8C/min => 250C | 40C(3min) => 10C/min => 60C =3C/min => 150C => 20C/min => 250C (5min) |
I | 901. | 892. | 890. | 899. | 898. |
Reference | Bonaiti, Irlinger, et al., 2005 | Wang, Finn, et al., 2005 | Klesk, Qian, et al., 2004 | Boscaini, van Ruth, et al., 2003 | Boué, Shih, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | BPX-5 | HP-5 | HP-5 | CP Sil 8 CB |
Column length (m) | 60. | 50. | 50. | 50. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 1. | 0.25 | 1.05 | 1.05 | 0.25 |
Program | 35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min) | 0C (5min) => 40C/min => 40C (2min) => 4C/min => 280C | 35C (5min) => 10C/min => 150C => 20C/min => 250C (10min) | 35C(5min) => 10C/min => 150C => 20C/min => 250C(10 min) | 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) |
I | 871. | 891. | 882. | 882. | 893. |
Reference | Place, Imhof, et al., 2003 | Byrne, Bredie, et al., 2002 | Carrapiso, Jurado, et al., 2002 | Carrapiso, Ventanas, et al., 2002 | Oruna-Concha, Bakker, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | CP-Sil 8CB-MS | DB-1 | DB-5 | DB-5 |
Column length (m) | 30. | 60. | 60. | 50. | 30. |
Carrier gas | He | He | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
Program | 35C(2min) => 40C/min => 60C (2min) => 4C/min => 240C | 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C | -20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C | oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) |
I | 884. | 892. | 870. | 898. | 889. |
Reference | Rychlik and Bosset, 2001 | Elmore, Mottram, et al., 2000 | Eri, Khoo, et al., 2000 | Parker, Hassell, et al., 2000 | Boulanger, Chassagne, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | BPX-5 | BPX-5 | SE-54 | BPX-5 |
Column length (m) | 30. | 50. | 50. | 25. | 50. |
Carrier gas | H2 | He | He | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.31 | 0.32 |
Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.5 | |
Program | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 0C(5min) => 40C/min => 40C(2min) => 4C/min => 280C | OC (5min) => 60C/min => 60C(5min) => 4C/min => 250C | not specified | OC => 60C/min => 60C(5min) => 4C/min => 250C(20min) |
I | 889. | 902. | 896. | 889. | 897. |
Reference | Boulanger, Chassagne, et al., 1999 | Elmore, Mottram, et al., 1999 | Bredie, Mottram, et al., 1998 | Li, Wang, et al., 1998 | Owens J.D., Allagheny N., et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | DB-5 |
Column length (m) | 50. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | |
Program | 0C => 60C/min => 60C (5min) => 4C/min => 250C |
I | 890. |
Reference | Mottram and Whitfield, 1995 |
Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-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.
Bonaiti, Irlinger, et al., 2005
Bonaiti, C.; Irlinger, F.; Spinnler, H.E.; Engel, E.,
An iterative sensory procedure to select odor-active associations in complex consortia of microorganisms: application to the construction of a cheese model,
J. Dairy Sci., 2005, 88, 5, 1671-1684, https://doi.org/10.3168/jds.S0022-0302(05)72839-3
. [all data]
Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C.,
Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis,
J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m
. [all data]
Klesk, Qian, et al., 2004
Klesk, K.; Qian, M.; Martin, R.R.,
Aroma extract dilution analysis of cv. meeker (Rubus idaeus L.) red raspberries from Oregon and Washington,
J. Agric. Food Chem., 2004, 52, 16, 5155-5161, https://doi.org/10.1021/jf0498721
. [all data]
Boscaini, van Ruth, et al., 2003
Boscaini, E.; van Ruth, S.; Biasioli, F.; Gasperi, F.; Märk, T.D.,
Gas chromatography-olfactometry (GC-O) and proton transfer reaction-mass spectrometry (PTR-MS) analysis of the flavor profile of grana padano, parmigiano reggiano, and grana trentino cheeses,
J. Agric. Food Chem., 2003, 51, 7, 1782-1790, https://doi.org/10.1021/jf020922g
. [all data]
Boué, Shih, et al., 2003
Boué, S.M.; Shih, B.Y.; Carter-Wientjes, C.H.; Cleveland, T.E.,
Identification of volatile compounds in soybean at various developmental stages using solid phase microextraction,
J. Agric. Food Chem., 2003, 51, 17, 4873-4876, https://doi.org/10.1021/jf030051q
. [all data]
Place, Imhof, et al., 2003
Place, R.B.; Imhof, M.; Teuber, M.; Olivier Bosset, J.,
Distribution of the volatile (flavour) compounds in Raclette cheese produced with different staphylococci in the smear,
Mitt. Lebensmittelunters. Hyg., 2003, 94, 192-211. [all data]
Byrne, Bredie, et al., 2002
Byrne, D.V.; Bredie, W.L.P.; Mottram, D.S.; Martens, M.,
Sensory and chemical investigations on the effect of oven cooking on warmed-over flavour development in chicken meat,
Meat Sci., 2002, 61, 2, 127-139, https://doi.org/10.1016/S0309-1740(01)00171-1
. [all data]
Carrapiso, Jurado, et al., 2002
Carrapiso, A.I.; Jurado, Á.; Timón, M.L.; García, C.,
Odor-active compounds of Iberian hams with different aroma characteristics,
J. Agric. Food Chem., 2002, 50, 22, 6453-6458, https://doi.org/10.1021/jf025526c
. [all data]
Carrapiso, Ventanas, et al., 2002
Carrapiso, A.I.; Ventanas, J.; García, C.,
Characterization of the most odor-active compounds of Iberian ham headspace,
J. Agric. Food Chem., 2002, 50, 7, 1996-2000, https://doi.org/10.1021/jf011094e
. [all data]
Oruna-Concha, Bakker, et al., 2002
Oruna-Concha, M.J.; Bakker, J.; Ames, J.M.,
Comparison of the volatile components of two cultivars of potato cooked by boiling, conventional baking and microwave baking,
J. Sci. Food Agric., 2002, 82, 9, 1080-1087, https://doi.org/10.1002/jsfa.1148
. [all data]
Rychlik and Bosset, 2001
Rychlik, M.; Bosset, J.O.,
Flavour and off-flavour compoundsof SwissGruy ere cheese. Evaluation of potent odorants,
Int. Dairy J., 2001, 11, 11-12, 895-901, https://doi.org/10.1016/S0958-6946(01)00108-X
. [all data]
Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D.,
The effects of diet and breed on the volatile compounds of cooked lamb,
Meat Sci., 2000, 55, 2, 149-159, https://doi.org/10.1016/S0309-1740(99)00137-0
. [all data]
Eri, Khoo, et al., 2000
Eri, S.; Khoo, B.K.; Lech, J.; Hartman, T.G.,
Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization,
J. Agric. Food Chem., 2000, 48, 4, 1140-1149, https://doi.org/10.1021/jf9911850
. [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]
Boulanger, Chassagne, et al., 1999
Boulanger, R.; Chassagne, D.; Crouzet, J.,
Free and bound flavour components of amazonian fruits. 1: Bacuri,
Flavour Fragr. J., 1999, 14, 5, 303-311, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<303::AID-FFJ834>3.0.CO;2-C
. [all data]
Elmore, Mottram, et al., 1999
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D.,
Effect of the polyunsaturated fatty acid composition of beef muscle on the profile of aroma volatiles,
J. Agric. Food Chem., 1999, 47, 4, 1619-1625, https://doi.org/10.1021/jf980718m
. [all data]
Bredie, Mottram, et al., 1998
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E.,
Aroma volatiles generated during extrusion cooking of maize flour,
J. Agric. Food Chem., 1998, 46, 4, 1479-1487, https://doi.org/10.1021/jf9708857
. [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]
Owens J.D., Allagheny N., et al., 1997
Owens J.D.; Allagheny N.; Kipping G.; Ames J.M.,
Formation of volatile compounds during Bacillus subtilis fermentation of soya beans,
J. Sci. Food Agric., 1997, 74, 1, 132-140, https://doi.org/10.1002/(SICI)1097-0010(199705)74:1<132::AID-JSFA779>3.0.CO;2-8
. [all data]
Mottram and Whitfield, 1995
Mottram, D.S.; Whitfield, F.B.,
Volatile compounds from the reaction of cysteine, ribose, and phospholipid in low-moisture systems,
J. Agric. Food Chem., 1995, 43, 4, 984-988, https://doi.org/10.1021/jf00052a027
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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