2-Hydroxy-3-pentanone
- Formula: C5H10O2
- Molecular weight: 102.1317
- IUPAC Standard InChIKey: QMXCHEVUAIPIRM-UHFFFAOYSA-N
- CAS Registry Number: 5704-20-1
- 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: 3-Pentanone, 2-hydroxy-; 3-Pentanon-2-ol
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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 | FFAP | DB-Wax | FFAP | DB-Wax | TC-Wax |
Column length (m) | 30. | 60. | 30. | 30. | 60. |
Carrier gas | Nitrogen | Helium | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.50 | 0.50 | 0.5 | 0.25 | 0.5 |
Tstart (C) | 35. | 40. | 35. | 40. | 40. |
Tend (C) | 250. | 210. | 320. | 230. | 230. |
Heat rate (K/min) | 4. | 2. | 4. | 4. | 3. |
Initial hold (min) | 5. | 5. | 5. | 2. | 8. |
Final hold (min) | 45. | 70. | 45. | 15. | |
I | 1351. | 1380. | 1351. | 1368. | 1370. |
Reference | Budryn, Nebesny, et al., 2011 | Moon and Shibamoto, 2010 | Nebesny, Budryn, et al., 2007 | Fan and Qian, 2006 | Ishikawa, Ito, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | HP-Wax | Carbowax 20M |
Column length (m) | 60. | 30. |
Carrier gas | He | Helium |
Substrate | ||
Column diameter (mm) | 0.25 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 |
Tstart (C) | 40. | 40. |
Tend (C) | 190. | 230. |
Heat rate (K/min) | 3. | 3. |
Initial hold (min) | 6. | 3. |
Final hold (min) | ||
I | 1366. | 1364. |
Reference | Sanz, Ansorena, et al., 2001 | Neuser, Zorn, et al., 2000 |
Comment | 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.
Budryn, Nebesny, et al., 2011
Budryn, G.; Nebesny, E.; Kula, J.; Majda, T.; Krysiak, W.,
HS-SPME/GC/MS Profiles of convectively and microwave roasted Ivory Coast Robusta coffee brews,
Czech. J. Food Sci., 2011, 29, 2, 151-160. [all data]
Moon and Shibamoto, 2010
Moon, J.-K.; Shibamoto, T.,
Formation of volatile chemicals from thermal degradation of less volatile cofee components: quinic acid, caffeic acid, and chlorogenic acid,
J. Agric. Food Chem., 2010, 58, 9, 5465-5470, https://doi.org/10.1021/jf1005148
. [all data]
Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T.,
The effect of roasting method on headspace composition of robusta coffee bean aroma,
Eur. Food Res. Technol., 2007, 225, 1, 9-19, https://doi.org/10.1007/s00217-006-0375-0
. [all data]
Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis,
J. Agric. Food Chem., 2006, 54, 7, 2695-2704, https://doi.org/10.1021/jf052635t
. [all data]
Ishikawa, Ito, et al., 2004
Ishikawa, M.; Ito, O.; Ishizaki, S.; Kurobayashi, Y.; Fujita, A.,
Solid-phase aroma concentrate extraction (SPACE ): a new headspace technique for more sensitive analysis of volatiles,
Flavour Fragr. J., 2004, 19, 3, 183-187, https://doi.org/10.1002/ffj.1322
. [all data]
Sanz, Ansorena, et al., 2001
Sanz, C.; Ansorena, D.; Bello, J.; Cid, C.,
Optimizing headspace temperature and time sampling for identification of volatile compounds in ground roasted Arabica coffee,
J. Agric. Food Chem., 2001, 49, 3, 1364-1369, https://doi.org/10.1021/jf001100r
. [all data]
Neuser, Zorn, et al., 2000
Neuser, F.; Zorn, H.; Berger, R.G.,
Generation of odorous acyloins by yeast pyruvate decarboxylases and their occurence in sherry and soy sauce,
J. Agric. Food Chem., 2000, 48, 12, 6191-6195, https://doi.org/10.1021/jf000535b
. [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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