493856
3,4-Dimethylbenzaldehyde
98%
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About This Item
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Quality Level
assay
98%
refractive index
n20/D 1.551 (lit.)
bp
226 °C (lit.)
density
1.012 g/mL at 25 °C (lit.)
functional group
aldehyde
SMILES string
Cc1ccc(C=O)cc1C
InChI
1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3
InChI key
POQJHLBMLVTHAU-UHFFFAOYSA-N
General description
3,4-Dimethylbenzaldehyde (3,4-DMB) is a benzaldehyde derivative. It is the OH radical initiated oxidative degradation product of trimethylbenzene. The rate coefficient of the gas-phase reaction between 3,4-DMB and OH radical is 24.6±4.0×10-12cm3molecule-1s-1. The vibrational analysis of 3,4-DMB based on FT-IR spectra, FT-Raman spectra, ab initio and density functional theory (DFT) calculations have been reported. It is formed as an intermediate during the transformation of furfural into gasoline-range fuels using ZSM(Zeolite Socony Mobil)-5-based catalysts.
Application
3,4-Dimethylbenzaldehyde may be used in the synthesis of 3,4-dimethylmethcathinone (DMMC) and 3,4-dimethyl-dibenzylidene sorbitol.
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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Catalytic fast pyrolysis of furfural over H-ZSM-5 and Zn/H-ZSM-5 catalysts.
Applied Catalysis A: General, 419, 102-110 (2012)
Synthesis of 3,4-Dimethyl-dibenzylidene Sorbitol at Room Temperature.
Huaxue Shiji, 47(3), 174-174 (2006)
Urinary excretion and metabolism of the newly encountered designer drug 3,4-dimethylmethcathinone in humans.
Forensic Toxicology, 31(1), 101-112 (2013)
Rate coefficients for the gas-phase reaction of hydroxyl radicals with the dimethylbenzaldehydes.
International Journal of Chemical Kinetics, 38(9), 563-569 (2006)
Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3, 4-dimethylbenzaldehyde.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 68(3), 680-687 (2007)
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