3-Penten-2-one, 4-methyl-
- Formula: C6H10O
- Molecular weight: 98.1430
- IUPAC Standard InChI: InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
- IUPAC Standard InChIKey: SHOJXDKTYKFBRD-UHFFFAOYSA-N
- CAS Registry Number: 141-79-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Acetone, isopropylidene-; Isobutenyl methyl ketone; Isopropylideneacetone; Mesityl oxide; Methyl isobutenyl ketone; Methyl 2-methyl-1-propenyl ketone; 4-Methyl-3-penten-2-one; (CH3)2C=CHC(=O)CH3; Methyl 2,2-dimethylvinyl ketone; 4-Methyl-3-pentene-2-one; 2-Methylpent-2-en-4-one; 2-Methyl-2-penten-4-one; Mesityloxid; Mesityloxyde; MIBK; Ossido di mesitile; Oxyde de mesityle; 3-Isohexen-2-one; 4-Methyl-3-penten-2-on; 4-Methylpent-3-en-2-one; 4-Metil-3-penten-2-one; 2-Methyl-2-pentenone-4; UN 1229; 2-Methyl-4-oxo-2-pentene; 2,2-Dimethylvinyl methyl ketone; NSC 38717; 4-methyl-3-penten-2-one (mesityl oxide)
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Van Den Dool and Kratz RI, 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 |
|---|---|---|---|---|
| Active phase | ZB-Wax | FFAP | DB-Wax | CP-WAX 57CB |
| Column length (m) | 30. | 60. | 60. | 50. |
| Carrier gas | He | |||
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.15 | 0.5 | 0.25 | |
| Tstart (C) | 35. | 50. | 50. | 60. |
| Tend (C) | 220. | 230. | 230. | 200. |
| Heat rate (K/min) | 5. | 5. | 2. | 4. |
| Initial hold (min) | 5. | 3. | 5. | |
| Final hold (min) | 10. | 15. | ||
| I | 1118. | 1159. | 1131. | 1136. |
| Reference | Ledauphin, Saint-Clair, et al., 2004 | Stephan and Steinhart, 1999 | Shimoda, Shigematsu, et al., 1995 | Salter L.J., Mottram D.S., et al., 1988 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D.,
Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y
. [all data]
Stephan and Steinhart, 1999
Stephan, A.; Steinhart, H.,
Identification of character impact odorants of different soybean lecithins,
J. Agric. Food Chem., 1999, 47, 7, 2854-2859, https://doi.org/10.1021/jf981387g
. [all data]
Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y.,
Comparison of the odor concentrates by SDE and adsorptive column method from green tea infusion,
J. Agric. Food Chem., 1995, 43, 6, 1616-1620, https://doi.org/10.1021/jf00054a037
. [all data]
Salter L.J., Mottram D.S., et al., 1988
Salter L.J.; Mottram D.S.; Whitfield,
Volatile compounds produces in Maillard reactions involving glycine, ribose and phospholid,
J. Sci. Food Agric., 1988, 46, 2, 227-242, https://doi.org/10.1002/jsfa.2740460211
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, 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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