2-Hexanone, 5-methyl-
- Formula: C7H14O
- Molecular weight: 114.1855
- IUPAC Standard InChI: InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
- IUPAC Standard InChIKey: FFWSICBKRCICMR-UHFFFAOYSA-N
- CAS Registry Number: 110-12-3
- 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: Isoamyl methyl ketone; Isopentyl methyl ketone; Methyl isoamyl ketone; Methyl isopentyl ketone; MIAK; 2-Methyl-5-Hexanone; 5-Methyl-2-hexanone; (CH3)2CHCH2CH2COCH3; 5-Methylhexan-2-one; Ketone, methyl isoamyl; UN 2302; 3-Methylbutyl methyl ketone
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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 | HP-FFAP | HP-Innowax | DB-Wax | DB-Wax | HP-FFAP |
| Column length (m) | 25. | 60. | 30. | 30. | 25. |
| Carrier gas | Helium | Helium | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.50 | 0.25 | 0.25 | 0.25 | 0.5 |
| Tstart (C) | 45. | 60. | 30. | 30. | 45. |
| Tend (C) | 220. | 220. | 250. | 250. | 220. |
| Heat rate (K/min) | 15. | 3. | 4. | 4. | 15. |
| Initial hold (min) | 1. | 1. | 1. | ||
| Final hold (min) | 5. | ||||
| I | 1154. | 1186. | 1141. | 1146. | 1154. |
| Reference | Wanakhachornkrai and Lertsiri, 9999 | Feng, Zhuang, et al., 2011 | Tanaka, Yamauchi, et al., 2003 | Tanaka, Yamauchi, et al., 2003 | Wanakhachornkrai and Lertsiri, 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | CP-Wax 52CB |
| Column length (m) | 50. |
| Carrier gas | H2 |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | 0.22 |
| Tstart (C) | 60. |
| Tend (C) | 190. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | 4. |
| Final hold (min) | 21. |
| I | 1140. |
| Reference | Hwan and Chou, 1999 |
| Comment | 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.
Wanakhachornkrai and Lertsiri, 9999
Wanakhachornkrai, P.; Lertsiri, S.,
Comparison of determination method for volatile compounds in Thai soy sauce,
Analytical, Nutritional and Clinical Methods, 9999, 1-11. [all data]
Feng, Zhuang, et al., 2011
Feng, T.; Zhuang, H.; Ye, R.; Jin, Z.; Xu, X.; Xie, Z.,
Analysis of volatile compounds of Mesona Blumes gum/rice extrudates via GC-MS and electronic nose,
Sensors and Actuators B: Chemical, 2011, 160, 1, 964-973, https://doi.org/10.1016/j.snb.2011.09.013
. [all data]
Tanaka, Yamauchi, et al., 2003
Tanaka, T.; Yamauchi, T.; Katsumata, R.; Kiuchi, K.,
Comparison of volatile components in commercial Itohiki-Natto by solid phase microextraction and gas chromatography,
Nippon Shokuhin Kagaku Kogaku Kaishi, 2003, 50, 6, 278-285, https://doi.org/10.3136/nskkk.50.278
. [all data]
Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S.,
Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce,
Food Chem., 2003, 83, 4, 619-629, https://doi.org/10.1016/S0308-8146(03)00256-5
. [all data]
Hwan and Chou, 1999
Hwan, C.-H.; Chou, C.-C.,
Volatile components of the Chinese fermented soya bean curd as affected by the addition of ethanol in ageing solution,
J. Sci. Food Agric., 1999, 79, 2, 243-248, https://doi.org/10.1002/(SICI)1097-0010(199902)79:2<243::AID-JSFA179>3.0.CO;2-I
. [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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