1,3-Benzodioxol-5-ol
- Formula: C7H6O3
- Molecular weight: 138.1207
- IUPAC Standard InChI: InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
- IUPAC Standard InChIKey: LUSZGTFNYDARNI-UHFFFAOYSA-N
- CAS Registry Number: 533-31-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Phenol, 3,4-(methylenedioxy)-; Sesamol; 3,4-(Methylenedioxy)phenol; 5-Hydroxy-1,3-benzodioxole; Methylene ether of oxyhydroquinone; 5-Hydroxy-1,3-benzodioxole (sesamol)
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Phase change data
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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: William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 22.0 ± 0.1 | kcal/mol | ME | Matos, Monte, et al., 2004 | Based on data from 293. to 309. K. |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 22.0 ± 0.1 | 301. | ME | Matos, Monte, et al., 2004 | Based on data from 293. to 309. K. |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference |
|---|---|---|
| 4.054 | 337.7 | Matos, Monte, et al., 2004 |
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1278. | Kim, 2001 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 2. K/min; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1312. | Ghasemi, Asghari, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-5 | 1312. | Kobaisy, Tellez, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Matos, Monte, et al., 2004
Matos, M. Agostinha R.; Monte, Manuel J.S.; Sousa, Clara C.S.; Almeida, Ana R.R.P.; Morais, Victor M.F.,
Thermodynamic study of sesamol, piperonyl alcohol, piperonylic acid and homopiperonylic acid: a combined experimental and theoretical investigation,
Org. Biomol. Chem., 2004, 2, 6, 908, https://doi.org/10.1039/b400107a
. [all data]
Kim, 2001
Kim, J.S.,
Einfluss der Temperatur beim Rösten von Sesam auf Aroma und antioxidative Eigenschaften des Öls, PhD Thesis, Technischen Universität Berlin zur Erlangung des akademischen Grades, Berlin, 2001, 151. [all data]
Ghasemi, Asghari, et al., 2003
Ghasemi, N.; Asghari, G.; Ardakani, M.S.; Siahpoush, A.,
Characterization of volatile constituents from aerial parts of varthemia persica DC (var. persica),
Iran. J. Pharm. Res., 2003, 2, 241-243. [all data]
Kobaisy, Tellez, et al., 2002
Kobaisy, M.; Tellez, M.R.; Dayan, F.E.; Duke, S.O.,
Phytotoxicity and volatile constituents from leaves of Callicarpa japonica Thunb.,
Phytochemistry, 2002, 61, 1, 37-40, https://doi.org/10.1016/S0031-9422(02)00207-8
. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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