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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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
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 | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-5 | CP Sil 8 CB | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Nitrogen | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 50. | 40. | 60. | 60. |
| Tend (C) | 240. | 250. | 250. | 290. | 280. |
| Heat rate (K/min) | 3. | 5. | 3. | 3. | 3. |
| Initial hold (min) | 2. | 1. | 5. | ||
| Final hold (min) | 10. | 30. | |||
| I | 1492. | 1492. | 1492. | 1504. | 1491. |
| Reference | Andrade, Cardoso, et al., 2011 | Ho, Wang, et al., 2009 | Rahimi-Nasrabadi, Gholivand, et al., 2009 | Suárez, Vásquez, et al., 2005 | Caredda, Marongiu, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | OV-101 | OV-101 |
| Column length (m) | 50. | 50. |
| Carrier gas | N2 | N2 |
| Substrate | ||
| Column diameter (mm) | 0.2 | 0.25 |
| Phase thickness (μm) | ||
| Tstart (C) | 80. | 80. |
| Tend (C) | 200. | 200. |
| Heat rate (K/min) | 1. | 2. |
| Initial hold (min) | ||
| Final hold (min) | 20. | |
| I | 1468. | 1468. |
| Reference | Menon, Chacko, et al., 1999 | Sugisawa, Yamamoto, et al., 1989 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, 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]
Ho, Wang, et al., 2009
Ho, C.-L.; Wang, E.I.-C.; Su, Y.-C.,
Essential oil compositions and bioactivities of the various parts of Cinnamomum camphora Sieb. var. linallolifera Fujuta,
Journal title only in Chinese, 2009, 31, 2, 77-96. [all data]
Rahimi-Nasrabadi, Gholivand, et al., 2009
Rahimi-Nasrabadi, M.; Gholivand, M.B.; Batooli, H.; Vatanara, A.,
Chemical composition of the essential oil from leaves and flowering aerial parts of Psammogeton canscens (DC). Vake from Iran,
J. Medicinal Plants, 2009, 8, 31, 82-86. [all data]
Suárez, Vásquez, et al., 2005
Suárez, A.I.; Vásquez, L.J.; Manzano, M.A.; Compagnone, R.S.,
Essential oil composition of Croton cuneatus and Croton malambo growing in Venezuela,
Flavour Fragr. J., 2005, 20, 6, 611-614, https://doi.org/10.1002/ffj.1498
. [all data]
Caredda, Marongiu, et al., 2002
Caredda, A.; Marongiu, B.; Porcedda, S.; Soro, C.,
Supercritical carbon dioxide extraction and characterization of Laurus nobilis essential oil,
J. Agric. Food Chem., 2002, 50, 6, 1492-1496, https://doi.org/10.1021/jf0108563
. [all data]
Menon, Chacko, et al., 1999
Menon, A.N.; Chacko, S.; Narayanan, C.S.,
Free and glycosidically bound volatiles of cardamom (Eletteria cardamomum Maton var. miniscula Burkill),
Flavour Fragr. J., 1999, 14, 1, 65-68, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<65::AID-FFJ789>3.0.CO;2-A
. [all data]
Sugisawa, Yamamoto, et al., 1989
Sugisawa, H.; Yamamoto, M.; Tamura, H.; Takagi, N.,
The comparison of volatile components in peel oil from four species of navel orange,
Nippon Shokuhin Kogio Gakkaishi, 1989, 36, 6, 455-462, https://doi.org/10.3136/nskkk1962.36.6_455
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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