5-Methyl-2-phenyl-2-hexenal
- Formula: C13H16O
- Molecular weight: 188.2655
- IUPAC Standard InChI: InChI=1S/C13H16O/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3/b13-9-
- IUPAC Standard InChIKey: YURDCJXYOLERLO-LCYFTJDESA-N
- CAS Registry Number: 21834-92-4
- 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. - Other names: Benzeneacetaldehyde, α-(3-methylbutylidene)-; 2-Phenyl-5-methyl-2-hexenal; 2-Phenyl-5-methylhex-2-enal; 5-methyl-2-phenylhex-2-enal
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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 |
|---|---|---|---|---|
| Active phase | HP-5 | HP-5 | CP Sil 5 CB | CP Sil 5 CB |
| Column length (m) | 50. | 50. | ||
| Carrier gas | He | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | ||
| Phase thickness (μm) | 1.2 | 1.2 | ||
| Program | 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min) | 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min) | 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) | 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min) |
| I | 1488. | 1521. | 1485. | 1485. |
| Reference | Splivallo, Bossi, et al., 2007 | Splivallo, Bossi, et al., 2007 | Counet, Ouwerx, et al., 2004 | Counet, Callemien, et al., 2002 |
| Comment | 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.
Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P.,
Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction,
Phytochemistry, 2007, 68, 20, 2584-2598, https://doi.org/10.1016/j.phytochem.2007.03.030
. [all data]
Counet, Ouwerx, et al., 2004
Counet, C.; Ouwerx, C.; Rosoux, D.; Collin, S.,
Relationship between procyanidin and flavor contents of cocoa liquors from different origins,
J. Agric. Food Chem., 2004, 52, 20, 6243-6249, https://doi.org/10.1021/jf040105b
. [all data]
Counet, Callemien, et al., 2002
Counet, C.; Callemien, D.; Ouwerx, C.; Collin, S.,
Use of gas chromatography-olfactometry to identify key odorant compounds in dark chocolate. Comparison of samples before and after conching,
J. Agric. Food Chem., 2002, 50, 8, 2385-2391, https://doi.org/10.1021/jf0114177
. [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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