Benzaldehyde, 2,4,6-trimethyl-
- Formula: C10H12O
- Molecular weight: 148.2017
- IUPAC Standard InChIKey: HIKRJHFHGKZKRI-UHFFFAOYSA-N
- CAS Registry Number: 487-68-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Mesitaldehyde; Mesitylaldehyde; 2-Mesitylenecarboxaldehyde; 2,4,6-Trimethylbenzaldehyde; Mesitylenecarboxaldehyde
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Mass spectrum (electron ionization)
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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
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. |
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Origin | Japan AIST/NIMC Database- Spectrum MS-IW-4194 |
NIST MS number | 236049 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Schubert and Burkett, 1956 |
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Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 12715 |
Instrument | Beckman DU |
Melting point | 14 |
Boiling point | 238.5 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), UV/Visible spectrum, 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 MS | 1323. | Radulovic, Blagojevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Capillary | DB-1 | 1338. | Pala-Paul, Brophy, et al., 2007 | 50. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 95. C; Tend: 240. C |
Capillary | DB-1 | 1338. | Palá-Paúl, Pérez-Alonso, et al., 2005 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C |
Capillary | DB-1 | 1329. | Palá-Paúl, Velasco-Negueruela, et al., 2004 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C |
Capillary | HP-1 | 1286. | Boatright and Crum, 1997 | 30. m/0.25 mm/0.1 μm, He, 50. C @ 2. min, 5. K/min, 300. C @ 3. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | TR-5 MS | 1342. | Kurashov, Mitrukova, et al., 2014 | 15. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min) |
Capillary | BP-5 | 1335. | 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) |
Capillary | BP-5 | 1339. | 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) |
Capillary | BP-5 | 1347. | 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) |
Capillary | BP-5 | 1335. | 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 | DB-Wax | 1929. | 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 | 1929. | 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), UV/Visible spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Schubert and Burkett, 1956
Schubert, W.M.; Burkett,
J. Am. Chem. Soc., 1956, 78, 64. [all data]
Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R.,
Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168
. [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]
Palá-Paúl, Velasco-Negueruela, et al., 2004
Palá-Paúl, J.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Maqueda, J.; Sanz, J.,
Volatile oil constituents from different parts of Cachrys trifida L.,
J. Essent. Oil Res., 2004, 16, 4, 347-349, https://doi.org/10.1080/10412905.2004.9698738
. [all data]
Boatright and Crum, 1997
Boatright, W.L.; Crum, A.D.,
Nonpolar-volatile lipids from soy protein isolates and hexane-defatted flakes,
J. Amer. Oil Chem. Soc., 1997, 74, 4, 461-467, https://doi.org/10.1007/s11746-997-0107-z
. [all data]
Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V.,
Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press),
Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [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]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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