Benzene, 1,2-(methylenedioxy)-4-propenyl-, (E)-
- Formula: C10H10O2
- Molecular weight: 162.1852
- IUPAC Standard InChI: InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+
- IUPAC Standard InChIKey: VHVOLFRBFDOUSH-NSCUHMNNSA-N
- CAS Registry Number: 4043-71-4
- 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. - Stereoisomers:
- Other names: 1,3-Benzodioxole, 5-(1-propenyl)-, (E)-; β-Isosafrole; (E)-Isosafrole; trans-Isosafrole; trans-1,2-(Methylenedioxy)-4-propenylbenzene; (E)-Isosafrol
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Gas Chromatography
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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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-5 | 1374. | Mohottalage, Tabacchi, et al., 2007 | 30. m/0.25 mm/0.25 μm, 60. C @ 5. min, 4. K/min, 220. C @ 20. min |
| Capillary | CP Sil 5 CB | 1354. | Tesso, König, et al., 2006 | H2, 3. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 230. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mohottalage, Tabacchi, et al., 2007
Mohottalage, S.; Tabacchi, R.; Guerin, P.M.,
Components from Sri Lankan Piper betle L. leaf oil and their analogues showing toxicity against the housefly, Musca domestica,
Flavour Fragr. J., 2007, 22, 2, 130-138, https://doi.org/10.1002/ffj.1770
. [all data]
Tesso, König, et al., 2006
Tesso, H.; König, W.A.; Son, P.T.; Giang, P.M.,
Composition of the essential oil of flowers of Chloranthus spicatus (Thunb.) Makino,
Flavour Fragr. J., 2006, 21, 4, 592-597, https://doi.org/10.1002/ffj.1528
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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