2,3-Octanedione
- Formula: C8H14O2
- Molecular weight: 142.1956
- IUPAC Standard InChI: InChI=1S/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h3-6H2,1-2H3
- IUPAC Standard InChIKey: XCBBNTFYSLADTO-UHFFFAOYSA-N
- CAS Registry Number: 585-25-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2,3-Octandione; Octane-2,3-dione; 2,3-Octadione
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- Other data available:
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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 | DB-5 | Squalane | DB-5 MS | DB-5 MS | HP-5 |
| Column length (m) | 60. | 30. | 60. | 50. | |
| Carrier gas | Helium | Helium | Helium | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | |
| Phase thickness (μm) | 1.00 | 1.0 | 1.0 | 1.05 | |
| Program | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | not specified | -10 0C (3 min) 50 0C/min -> 40 0C 5 0C/min -> 290 0C (5 min) | 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) | 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) |
| I | 991. | 968. | 986. | 984. | 984. |
| Reference | Miyazaki, Plotto, et al., 2011 | Chen, 2008 | Watanabe, Ueda, et al., 2008 | Liu, Xu, et al., 2007 | Garcia-Estaban, Ansorena, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-5 | MDN-5 | SF96+Igepal |
| Column length (m) | 50. | 30. | 152. |
| Carrier gas | Helium | ||
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.25 | 0.76 |
| Phase thickness (μm) | 1.05 | 0.25 | |
| Program | 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) | 35 0C (1 min) 120 0C/min -> 60 0C 2 0C/min -> 280 0C | 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C |
| I | 984. | 981. | 971. |
| Reference | Garcia-Estaban, Ansorena, et al., 2004, 2 | Turchimi, Mentasti, et al., 2004 | Flath, Altieri, et al., 1984 |
| Comment | 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.
Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G.,
Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance,
J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205
. [all data]
Chen, 2008
Chen, H.-F.,
Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression,
Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003
. [all data]
Watanabe, Ueda, et al., 2008
Watanabe, A.; Ueda, Y.; Higuchi, M.; Shiba, N.,
Analysis of volatile compounds in beef fat by dinamic-headspace solid phase microextraction combined with gas chromatography - mass spectrometry,
J. Food Sci., 2008, 73, 5, 420-425, https://doi.org/10.1111/j.1750-3841.2008.00764.x
. [all data]
Liu, Xu, et al., 2007
Liu, Y.; Xu, X.-L.; Zhou, G.-H.,
Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques,
Int. J. Food Sci. Technol., 2007, 42, 5, 543-550, https://doi.org/10.1111/j.1365-2621.2006.01264.x
. [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]
Turchimi, Mentasti, et al., 2004
Turchimi, G.N.; Mentasti, T.; Carpino, F.; Panseri, S.; Moretti, V.M.; Valfre, F.,
Effects of dietary lipid sources on flavour volatile compounds of brown trout (Salmo trurra L.) fillet,
J. Appl. Ichtyol., 2004, 20, 1, 71-75, https://doi.org/10.1046/j.0175-8659.2003.00522.x
. [all data]
Flath, Altieri, et al., 1984
Flath, R.A.; Altieri, M.A.; Mon, T.R.,
Volatile constituents of Amaranthus retroflexus L.,
J. Agric. Food Chem., 1984, 32, 1, 92-94, https://doi.org/10.1021/jf00121a024
. [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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