2-Propanone, 1-hydroxy-
- Formula: C3H6O2
- Molecular weight: 74.0785
- IUPAC Standard InChI: InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
- IUPAC Standard InChIKey: XLSMFKSTNGKWQX-UHFFFAOYSA-N
- CAS Registry Number: 116-09-6
- 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: Acetol; CH3C(O)CH2OH; Hydroxyacetone; Acetone alcohol; Acetylcarbinol; Hydroxypropanone; Methanol, acetyl-; 1-Hydroxy-2-propanone; 1-Hydroxypropan-2-one; Hydroxypropan-2-one; hydroxyacetone (acetol)
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Normal alkane 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 | SLB-5 MS | SLB-5 MS | DB-5 MS | HP-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 50. | 50. |
| Carrier gas | Helium | Helium | Helium | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1.05 | 1.05 |
| Program | not specified | not specified | 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) | 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) | 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) |
| I | 698. | 713. | 688. | 658. | 658. |
| Reference | Mondello, 2012 | Mondello, 2012 | Cajka, Hajslova, et al., 2007 | Garcia-Estaban, Ansorena, et al., 2004 | Garcia-Estaban, Ansorena, et al., 2004, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-5 | DB-5 | DB-5 | DB-5 |
| Column length (m) | 50. | 50. | 50. | 50. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.52 | 0.25 | 0.25 | 0.25 |
| Program | 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min) | 40C(10min) => 3C/min => 95C => 10C/min => 270C(10min) | 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) | 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) |
| I | 674. | 663. | 666. | 664. |
| Reference | Timón, Ventanas, et al., 1998 | Mateo, Aguirrezábal, et al., 1997 | Mateo and Zumalacárregui, 1996 | Mateo and Zumalacárregui, 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Mondello, 2012
Mondello, L.,
HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis)
in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]
Cajka, Hajslova, et al., 2007
Cajka, T.; Hajslova, J.; Cochran, J.; Holadova, K.; Klimankova, E.,
Solid phase microextraction - comprehensive two dimensional gas chromatography - time-of-flight mass spectrometry for the analysis of honey volatiles,
J. Sep. Sci., 2007, 30, 4, 534-546, https://doi.org/10.1002/jssc.200600413
. [all data]
Garcia-Estaban, Ansorena, et al., 2004
Garcia-Estaban, M.; Ansorena, D.; Astiasaran, I.; Martin, D.; Ruiz, J.,
Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham,
J. Sci. Food Agric., 2004, 84, 11, 1364-1370, https://doi.org/10.1002/jsfa.1826
. [all data]
Garcia-Estaban, Ansorena, et al., 2004, 2
Garcia-Estaban, M.; Ansorena, D.; Astiasarán, I.; Ruiz, J.,
Study of the effect of different fiber coatings and extraction conditions on dry cured ham volatile compounds extracted by solid-phase microextraction (SPME),
Talanta, 2004, 64, 2, 458-466, https://doi.org/10.1016/j.talanta.2004.03.007
. [all data]
Timón, Ventanas, et al., 1998
Timón, M.L.; Ventanas, J.; Martín, L.; Tejeda, J.F.; García, C.,
Volatile compounds in supercritical carbon dioxide extracts of Iberian ham,
J. Agric. Food Chem., 1998, 46, 12, 5143-5150, https://doi.org/10.1021/jf980652v
. [all data]
Mateo, Aguirrezábal, et al., 1997
Mateo, J.; Aguirrezábal, M.; Domínguez, C.; Zumalacárregui, J.M.,
Volatile compounds in Spanish paprika,
J. Food Comp. Anal., 1997, 10, 3, 225-232, https://doi.org/10.1006/jfca.1997.0535
. [all data]
Mateo and Zumalacárregui, 1996
Mateo, J.; Zumalacárregui, J.M.,
Volatile compounds in chorizo and their changes during ripening,
Meat Sci., 1996, 44, 4, 255-273, https://doi.org/10.1016/S0309-1740(96)00028-9
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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