5-Heptenal, 2,6-dimethyl-
- Formula: C9H16O
- Molecular weight: 140.2227
- IUPAC Standard InChI: InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3
- IUPAC Standard InChIKey: YGFGZTXGYTUXBA-UHFFFAOYSA-N
- CAS Registry Number: 106-72-9
- 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: Melonal; 2,6-Dimethyl-5-heptenal; 2,6-Dimethyl-5-hepten-1-al; 2,6-Dimethyl hept-5-en-1-al; Bergamal; 2,6-Dimethylhept-5-enal
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- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
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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 | Siloxane, 5 % Ph | Polydimethyl siloxane, 5 % phenyl | DB-1 | SE-30 | |
| Column length (m) | 60. | ||||
| Carrier gas | Helium | ||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | ||||
| Phase thickness (μm) | 0.25 | ||||
| Program | not specified | not specified | 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min) | not specified | not specified |
| I | 1047. | 1047. | 1037. | 1038. | 1039. |
| Reference | VOC BinBase, 2012 | Skogerson, Wohlgemuth, et al., 2011 | Delort and Jaquier, 2009 | El-Shazily, Hafez, et al., 2004 | Vinogradov, 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.
VOC BinBase, 2012
VOC BinBase,
The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]
Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O.,
VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]
Delort and Jaquier, 2009
Delort, E.; Jaquier, A.,
Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract,
Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922
. [all data]
El-Shazily, Hafez, et al., 2004
El-Shazily, A.M.; Hafez, S.S.; Wink, M.,
Comparative study of the essential oils and extracts of Achillea fragrantissima (Forssk.) Sch. Bip. and Achillea santolina L. (Asteraceae) from Egypt,
Pharmazie, 2004, 59, 226-230. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [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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