3,5-Octadien-2-one
- Formula: C8H12O
- Molecular weight: 124.1803
- IUPAC Standard InChIKey: LWRKMRFJEUFXIB-UHFFFAOYSA-N
- CAS Registry Number: 38284-27-4
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 3,5-Octadiene-2-one; Octa-3,5-dien-2-one; 3,5-Octadienone
- Information on this page:
- Other data available:
- Options:
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 | TR-5 MS | HP-5 MS | HP-5 | HP-5MS | MDN-5 |
Column length (m) | 15. | 30. | 30. | 30. | |
Carrier gas | Helium | Helium | He | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min) | 40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C | 40 0C (2 min) 110 0C (2 min) 3 0C/min -> 170 0C (2 min) 4 0C/min -> 220 0C (2 min) 10 0C/min -> 260 0C (5 min) | not specified | 35 0C (1 min) 120 0C/min -> 60 0C 2 0C/min -> 280 0C |
I | 1070. | 1098. | 1069. | 1090. | 1074. |
Reference | Kurashov, Mitrukova, et al., 2014 | Xie, Sun, et al., 2008 | Dou, Li, et al., 2007 | Mallia, Escher, et al., 2007 | Turchimi, Mentasti, et al., 2004 |
Comment | MSDC-RI | 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.
Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V.,
Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press),
Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [all data]
Xie, Sun, et al., 2008
Xie, J.; Sun, B.; Zheng, F.; Wang, S.,
Volatile flavor constituents in roasted pork of mini-pig,
Food Chem., 2008, 109, 3, 506-514, https://doi.org/10.1016/j.foodchem.2007.12.074
. [all data]
Dou, Li, et al., 2007
Dou, H.-L.; Li, C.-M.; Gu, H.-F.; Hao, J.-F.,
Comparative analysis on aromatic components of green tea and fresh green tea beverage using HS-SPME/GC-MS/GC-olfactometry/RI methods,
Journal of Tea Science, 2007, 27, 1, 51-60. [all data]
Mallia, Escher, et al., 2007
Mallia, S.; Escher, F.; Rehberger, B.; Schlichtherle-Cerny, H.,
Aroma-active secondary oxidation products of butter, 3rd QLIF Congress, Hohenheim, Germany, March 20-23, 2007, 2007, retrieved from http://orgprints.org/view/projects/intconfqlif2007.html; http://orgprints.org/9734/. [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]
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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