Benzene, 1,2-dimethoxy-4-(1-propenyl)-
- 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
- IUPAC Standard InChIKey: NNWHUJCUHAELCL-UHFFFAOYSA-N
- CAS Registry Number: 93-16-3
- 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: Benzene, 1,2-dimethoxy-4-propenyl-; Isoeugenol methyl ether; Isoeugenyl methyl ether; Isohomogenol; Methylisoeugenol; O-Methylisoeugenol; 1-(3,4-Dimethoxyphenyl)-1-propene; 1-Veratryl-1-propene; 3,4-Dimethoxypropenylbenzene; 4-Propenyl-1,2-dimethoxybenzene; 4-Propenylveratrole; 1-Propene, 1-(3,4-dimethoxyphenyl)-; 1,3,4-Isoeugenol methyl ether; Benzene, 4-(1-propenyl)-1,2-dimethoxy; Isomethyleugenol; Benzene, 1,2-dimethoxy-4-(1-propen-1-yl)-; NSC 46111; Veratrole, 4-propenyl-; 1,2-Dimethoxy-4-(1-propenyl)-benzene; 4-prop-1-enylveratrole
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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 | DB-5 | DB-1 | HP-5MS |
| Column length (m) | 30. | 60. | 30. |
| Carrier gas | Helium | Helium | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Program | 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) | 60C => 10C/min => 160C => 12C/min => 300C (5min) |
| I | 1492. | 1466. | 1462. |
| Reference | Andrade, Cardoso, et al., 2011 | Delort and Jaquier, 2009 | Deng, Li, et al., 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.
Andrade, Cardoso, et al., 2011
Andrade, M.A.; Cardoso, M.G.; Batista, L.R.; Freire, J.M.; Nelson, D.L.,
Antimicrobial activity and chemical composition of essential oil of Pelargonium odoratissimum,
Braz. J. Pharmacognosy, 2011, 21, 1, 47-52. [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]
Deng, Li, et al., 2004
Deng, C.; Li, N.; Zhang, X.,
Rapid determination of essential oil in Acorus tatarinowii Schott. by pressurized hot water extraction followed by solid-phase microextraction and gas chromatography-mass spectrometry,
J. Chromatogr. A, 2004, 1059, 1-2, 149-155, https://doi.org/10.1016/j.chroma.2004.10.005
. [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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