5,9-Undecadien-2-one, 6,10-dimethyl-, (E)-
- Formula: C13H22O
- Molecular weight: 194.3132
- IUPAC Standard InChI: InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+
- IUPAC Standard InChIKey: HNZUNIKWNYHEJJ-FMIVXFBMSA-N
- CAS Registry Number: 3796-70-1
- 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. - Stereoisomers:
- Other names: trans-Geranylacetone; Acetone, geranyl-; Geranyl acetone; 6,10-dimethyl-5,9-undecadien-2-one, (E); 6,10-dimethyl-(E)-5,9-undecadien-2-one; (E)-6,10-dimethyl-5,9- undecadien-2-one; (E)-Geranylacetone; Geranylacetone, trans-; (E)-6,10-Dimethylundeca-5,9-dien-2-one; 5,9-Undecadien-2-one, 6,10-dimethyl-, (5E)-; (5E)-6,10-Dimethyl-5,9-undecadien-2-one; Farnesylacetone B; Geranylaceton
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Kovats' 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 |
|---|---|---|---|---|
| Active phase | HP-5MS | HP-5MS | HP-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 40C(3min) => 3C/min => 160C => 10C/min => 200C | 50C(2min) => 2C/min => 160C(5min) => 50C/min => 270C (6min) | 50 C 20 C/min -> 70 C 9 C/min -> 280 C | 50 0C 20 K/min -> 70 0C 9 K/min -> 280 0C |
| I | 1458. | 1460. | 1453. | 1453. |
| Reference | Alissandrakis E., Tarantilis P.A., et al., 2007 | Mevy, Bousquet-Melou, et al., 2006 | Palic, Stojanovic, et al., 2002 | Stojanovic, Palic, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Alissandrakis E., Tarantilis P.A., et al., 2007
Alissandrakis E.; Tarantilis P.A.; Harizanis P.C.; Polissiou M.,
Comparison of the volatile composition in thyme honeys from several origins in Greece,
J. Agric. Food Chem., 2007, 55, 20, 8152-8157, https://doi.org/10.1021/jf071442y
. [all data]
Mevy, Bousquet-Melou, et al., 2006
Mevy, J.P.; Bousquet-Melou, A.; Greff, S.; Millogo, J.; Fernandez, C.,
Chemical composition of the volatile oil of Laggera aurita Schulz from Burkina-Faso,
Biochem. Syst. Ecol., 2006, 34, 11, 815-818, https://doi.org/10.1016/j.bse.2006.06.005
. [all data]
Palic, Stojanovic, et al., 2002
Palic, R.; Stojanovic, G.; Alagic, S.; Nikolic M.; Lepojevic, Z.,
Chemical composition and antimicrobial activity of the essential oil and CO2 extracts of the oriental tobacco, Prilep,
Flavour Fragr. J., 2002, 17, 5, 323-326, https://doi.org/10.1002/ffj.1084
. [all data]
Stojanovic, Palic, et al., 2000
Stojanovic, G.; Palic, R.; Alagic, S.; Zekovic, Z.,
Chemical composition and antimicrobial activity of the essential oil and CO2 extracts of semi-oriental tobacco, Otlja,
Flavour Fragr. J., 2000, 15, 5, 335-338, https://doi.org/10.1002/1099-1026(200009/10)15:5<335::AID-FFJ921>3.0.CO;2-W
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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