3,5-Octadien-2-one
- Formula: C8H12O
- Molecular weight: 124.1803
- IUPAC Standard InChI: InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3
- 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:
Kovats' RI, non-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 | DB-5 | DB-1 | DB-1 | SE-30 | SE-30 |
| Column length (m) | 25. | 60. | 60. | 50. | 50. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.5 | 0.5 |
| Phase thickness (μm) | 0.15 | 0.25 | 0.25 | ||
| Tstart (C) | 60. | 30. | 30. | 40. | 40. |
| Tend (C) | 220. | 220. | 220. | 170. | 170. |
| Heat rate (K/min) | 3. | 2. | 2. | 3. | 3. |
| Initial hold (min) | 3. | 4. | 4. | 3. | 3. |
| Final hold (min) | |||||
| I | 1052. | 1063. | 1068. | 1048. | 1049. |
| Reference | Mevy, Bessiere, et al., 2006 | Takeoka, Perrino, et al., 1996 | Takeoka, Perrino, et al., 1996 | Greenberg, 1981 | Greenberg, 1981 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | SE-30 | SE-30 | SE-30 | SE-30 |
| Column length (m) | 50. | 50. | 50. | 50. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.5 | 0.5 | 0.5 | 0.5 |
| Phase thickness (μm) | ||||
| Tstart (C) | 40. | 40. | 70. | 70. |
| Tend (C) | 170. | 170. | 170. | 170. |
| Heat rate (K/min) | 3. | 3. | 5. | 5. |
| Initial hold (min) | 3. | 3. | 2. | 2. |
| Final hold (min) | 5. | 5. | ||
| I | 1070. | 1071. | 1048. | 1072. |
| Reference | Greenberg, 1981 | Greenberg, 1981 | Greenberg, 1981, 2 | Greenberg, 1981, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-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.
Mevy, Bessiere, et al., 2006
Mevy, J.-P.; Bessiere, J.-M.; Greff, S.; Zombre, G.; Viano, J.,
Composition of the volatile oil from the leaves of Ximenia americana L.,
Biochem. Syst. Ecol., 2006, 34, 7, 549-553, https://doi.org/10.1016/j.bse.2006.01.007
. [all data]
Takeoka, Perrino, et al., 1996
Takeoka, G.; Perrino, C., Jr.; Buttery, R.,
Volatile constituents of used frying oils,
J. Agric. Food Chem., 1996, 44, 3, 654-660, https://doi.org/10.1021/jf950430m
. [all data]
Greenberg, 1981
Greenberg, M.J.,
Characterization of meat and bone meal flavor volatiles,
J. Agric. Food Chem., 1981, 29, 6, 1276-1280, https://doi.org/10.1021/jf00108a043
. [all data]
Greenberg, 1981, 2
Greenberg, M.J.,
Characterization of poultry byproduct meal flavor volatiles,
J. Agric. Food Chem., 1981, 29, 4, 831-834, https://doi.org/10.1021/jf00106a038
. [all data]
Notes
Go To: Top, Kovats' RI, non-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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