Benzaldehyde, 2,4,5-trimethyl-
- Formula: C10H12O
- Molecular weight: 148.2017
- IUPAC Standard InChI: InChI=1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3
- IUPAC Standard InChIKey: LROJZZICACKNJL-UHFFFAOYSA-N
- CAS Registry Number: 5779-72-6
- 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: Duraldehyde; Durylaldehyde; 2,4,5-Trimethylbenzaldehyde
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-IW-4854 |
| NIST MS number | 237336 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1364. | Yassa and Akhani, 2008 | 30. m/0.25 mm/0.32 μm, Helium, 60. C @ 30. min, 5. K/min; Tend: 250. C |
| Capillary | HP-5 MS | 1357. | Capetanos, Saroglou, et al., 2007 | 30. m/0.32 mm/0.25 μm, Helium, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5 | 1364. | Yassa and Akhani, 2007 | 30. m/0.25 mm/0.32 μm, He, 60. C @ 30. min, 5. K/min; Tend: 250. C |
| Capillary | DB-1 | 1334. | Khalighi-Sigaroodi, Hadijiakhoondi, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 2.5 K/min, 265. C @ 30. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-5 | 1376. | Eyres, Dufour, et al., 2005 | 25. m/0.32 mm/0.50 μm, Helium; Program: 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min) |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP Innowax | 1901. | Capetanos, Saroglou, et al., 2007 | 30. m/0.32 mm/0.50 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | DB-Wax | 1896. | Pala-Paul, Brophy, et al., 2007 | 60. m/0.32 mm/0.25 μm, He, 4. K/min; Tstart: 70. C; Tend: 220. C |
| Capillary | DB-Wax | 1896. | Palá-Paúl, Pérez-Alonso, et al., 2005 | 60. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 35. C; Tend: 220. C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Yassa and Akhani, 2008
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2008, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
Capetanos, Saroglou, et al., 2007
Capetanos, C.; Saroglou, V.; Marin, P.D.; Simic, A.; Skaltsa, H.D.,
Essential oil snalysis of two endemic Eringium species from Serbia,
J. Serb. Chem. Soc., 2007, 72, 10, 961-965, https://doi.org/10.2298/JSC0710961C
. [all data]
Yassa and Akhani, 2007
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2007, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
Khalighi-Sigaroodi, Hadijiakhoondi, et al., 2005
Khalighi-Sigaroodi, F.; Hadijiakhoondi, A.; Shahverdi, A.R.; Mozaffarian, V.-A.; Shafiee, A.,
Chemical composition and antimicrobial activity of the essential oil of Ferulago Bernardii Tomk. and M.Pimen.,
DARU, 2005, 13, 3, 100-104. [all data]
Eyres, Dufour, et al., 2005
Eyres, G.; Dufour, J.-P.; Hallifax, G.; Sotheeswaran, S.; Marriott, P.J.,
Identification of character-impact odorants in coriander and wild coriander leaves using gas chromatography-olfactometry (GCO) and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOFMS),
J. Sep. Sci., 2005, 28, 9-10, 1061-1074, https://doi.org/10.1002/jssc.200500012
. [all data]
Pala-Paul, Brophy, et al., 2007
Pala-Paul, J.; Brophy, J.J.; Perez-Alonso, M.J.; Usano, J.; Soria, S.C.,
Essential oil composition of the different parts of Eryngium corniculatum Lam. (Apiaceae) from Spain,
J. Chromatogr. A, 2007, 1175, 2, 289-293, https://doi.org/10.1016/j.chroma.2007.10.061
. [all data]
Palá-Paúl, Pérez-Alonso, et al., 2005
Palá-Paúl, J.; Pérez-Alonso, M.; Velasco-Negueruela, A.; Vadaré, J.; Villa, A.M.; Sanz, J.; Brophy, J.J.,
Analysis of the essential oil composition from the different parts of Eryngium glaciale Boiss. from Spain,
J. Chromatogr. A, 2005, 1094, 1-2, 179-182, https://doi.org/10.1016/j.chroma.2005.09.029
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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