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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Normal alkane 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 | Capillary |
|---|---|---|---|---|---|
| Active phase | ZB-Wax | RTX-Wax | DB-Wax | DB-Wax | Carbowax 20M |
| Column length (m) | 30. | 60. | 60. | 30. | 60. |
| Carrier gas | Helium | He | H2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.5 | |
| Tstart (C) | 40. | 40. | 60. | 40. | 60. |
| Tend (C) | 250. | 180. | 220. | 210. | 180. |
| Heat rate (K/min) | 5. | 5. | 3. | 3. | 2. |
| Initial hold (min) | 2. | 5. | 1. | 4. | |
| Final hold (min) | 5. | 20. | 25. | ||
| I | 1114. | 1152. | 1129. | 1113. | 1110. |
| Reference | N/A | Galindo-Cuspinera, Lubran, et al., 2002 | Werkhoff, Güntert, et al., 1998 | Pollak and Berger, 1996 | Kawakami, Ganguly, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | Carbowax 20M | DB-Wax | DB-Wax |
| Column length (m) | 50. | 60. | 60. |
| Carrier gas | He | H2 | H2 |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | |
| Tstart (C) | 60. | 30. | 30. |
| Tend (C) | 180. | 180. | 180. |
| Heat rate (K/min) | 2. | 2. | 2. |
| Initial hold (min) | 4. | 2. | 2. |
| Final hold (min) | |||
| I | 1110. | 1127. | 1127. |
| Reference | Kawakami and Kobayashi, 1991 | Takeoka, Flath, et al., 1988 | Takeoka, Flath, et al., 1988 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Galindo-Cuspinera, Lubran, et al., 2002
Galindo-Cuspinera, V.; Lubran, M.B.; Rankin, S.A.,
Comparison of volatile compounds in water- and oil-soluble annatto (Bixa orellana L.) extracts,
J. Agric. Food Chem., 2002, 50, 7, 2010-2015, https://doi.org/10.1021/jf011325h
. [all data]
Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J.,
Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits,
J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s
. [all data]
Pollak and Berger, 1996
Pollak, F.C.; Berger, R.G.,
Geosmin and Related Volatiles in Bioreactor-Cultured Streptomyces citreus CBS 109.60,
Appl. Environ. Microbiol., 1996, 62, 4, 1295-1299. [all data]
Kawakami, Ganguly, et al., 1995
Kawakami, M.; Ganguly, S.N.; Banerjee, J.; Kobayashi, A.,
Aroma composition of oolong tea and black tea by brewed extraction method and characterizing compounds of Darjeeling tea aroma,
J. Agric. Food Chem., 1995, 43, 1, 200-207, https://doi.org/10.1021/jf00049a037
. [all data]
Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A.,
Volatitle constituents of greem mate and roasted mate,
J. Agric. Food Chem., 1991, 39, 7, 1275-1279, https://doi.org/10.1021/jf00007a016
. [all data]
Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W.,
Nectarine volatiles: vacuum steam distillation versus headspace sampling,
J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037
. [all data]
Notes
Go To: Top, Normal alkane 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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