Piperonal
- Formula: C8H6O3
- Molecular weight: 150.1314
- IUPAC Standard InChI: InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
- IUPAC Standard InChIKey: SATCULPHIDQDRE-UHFFFAOYSA-N
- CAS Registry Number: 120-57-0
- 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. - Other names: 1,3-Benzodioxole-5-carboxaldehyde; Geliotropin; Heliotropin; Heliotropine; Piperonaldehyde; Piperonylaldehyde; Protocatechuic aldehyde methylene ether; 3,4-(Methylenedioxy)benzaldehyde; 3,4-Bis(methylenedioxy)benzaldehyde; 3,4-Dihydroxybenzaldehyde methylene ketal; 5-Formyl-1,3-benzodioxole; Benzaldehyde, 3,4-(methylenedioxy)-; Dioxymethylene-protocatechuic aldehyde; 3,4-Methylene-dihydroxybenzaldehyde; 3,4-Dimethylenedioxybenzaldehyde; NSC 26826; Piperanal; 1,3-Benzodioxole-5-carbaldehyde; Heliotropine (Piperonal)
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Van Den Dool and Kratz 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 | CP-Sil PONA GB | HP-5 | HP-5 | HP-5MS | DB-1 |
| Column length (m) | 100. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | 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) | 140. | 50. | 50. | 60. | 50. |
| Tend (C) | 230. | 250. | 250. | 250. | 300. |
| Heat rate (K/min) | 5. | 4. | 4. | 4. | 2. |
| Initial hold (min) | 10. | 5. | 5. | 2. | |
| Final hold (min) | 25. | 15. | 15. | 20. | |
| I | 1305. | 1333. | 1329. | 1329. | 1285.1 |
| Reference | Cunicao, Lopes, et al., 2007 | Mahattanatawee, Goodner, et al., 2005 | Mahattanatawee, Goodner, et al., 2005 | Pino, Mesa, et al., 2005 | Chang, Sheng, et al., 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-1 |
| Column length (m) | 30. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | |
| Tstart (C) | 50. |
| Tend (C) | 300. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1285.4 |
| Reference | Chang, Sheng, et al., 1989 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Cunicao, Lopes, et al., 2007
Cunicao, M.M.; Lopes, A.R.; Côcco, L.C.; Yamamoto, C.I.; Plocharski, R.C.B.; Miguel, M.D.; Junior, A.G.; Auer, C.G.; Miguel, O.G.,
Phytochemical and antibacterial evaluation of essential oils from Ottonia Martiana Miq. (Piperaceae),
J. Braz. Chem. Soc., 2007, 18, 1, 184-188, https://doi.org/10.1590/S0103-50532007000100021
. [all data]
Mahattanatawee, Goodner, et al., 2005
Mahattanatawee, K.; Goodner, K.L.; Baldwin, E.A.,
Volatile constituents and character impact compounds of selected Florida's tropical fruit,
Proc. Fla. State Hort. Soc., 2005, 118, 414-418. [all data]
Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [all data]
Chang, Sheng, et al., 1989
Chang, L.P.; Sheng, L.S.; Yang, M.Z.; An, D.K.,
Retention index of essential oil in temperature-programmed capillary column gas chromatography,
Acta Pharm. Sin., 1989, 24, 11, 847-852. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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