(E)-Methyl isoeugenol
- Formula: C11H14O2
- Molecular weight: 178.2277
- IUPAC Standard InChI: InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+
- IUPAC Standard InChIKey: NNWHUJCUHAELCL-SNAWJCMRSA-N
- CAS Registry Number: 6379-72-2
- 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-Methylisoeugenol; (E)-Methyl eugenol; trans-α-Methyl isoeugenol; (E)-1,2-Dimethoxy-4-propenylbenzene; 4-trans-propenylveratrole
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- Information on this page:
- 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 |
|---|---|---|---|
| Active phase | HP-5MS | BPX-5 | SE-30 |
| Column length (m) | 30. | 30. | |
| Carrier gas | He | He | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.5 | |
| Program | 40C(10min) => 3C/min => 200C => 2C/min => 220C | 60C(1min) => 3.5C/min => 180C => 20C/min => 280C(2min) | not specified |
| I | 1499. | 1500. | 1459. |
| Reference | Cole, Haber, et al., 2007 | Koutsoudaki, Krsek, et al., 2005 | Vinogradov, 2004 |
| Comment | 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.
Cole, Haber, et al., 2007
Cole, R.A.; Haber, W.A.; Setzer, W.N.,
Chemical composition of essential oils of seven species of Eugenia from Monteverde, Costa Rica,
Biochem. Syst. Ecol., 2007, 35, 12, 877-886, https://doi.org/10.1016/j.bse.2007.06.013
. [all data]
Koutsoudaki, Krsek, et al., 2005
Koutsoudaki, C.; Krsek, M.; Rodger, A.,
Chemical composition and antibacterial activity of the essential oil and the gum of pistacia lentiscus Var. chia,
J. Agric. Food Chem., 2005, 53, 20, 7681-7685, https://doi.org/10.1021/jf050639s
. [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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