493856

3,4-Dimethylbenzaldehyde

98%

• Linear Formula: (CH₃)₂C₆H₃CHO
• CAS Number: 5973-71-7
• Molecular Weight: 134.18
• EC Number: 227-770-2
• MDL number: MFCD00016612
• UNSPSC Code: 12352100
• PubChem Substance ID: 24872864
• NACRES: NA.22

Properties

• 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

Description

General description

3,4-Dimethylbenzaldehyde (3,4-DMB) is a benzaldehyde derivative. It is the OH radical initiated oxidative degradation product of trimethylbenzene.[1] The rate coefficient of the gas-phase reaction between 3,4-DMB and OH radical is 24.6±4.0×10^-12cm³molecule^-1s^-1.[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.[2] It is formed as an intermediate during the transformation of furfural into gasoline-range fuels using ZSM(Zeolite Socony Mobil)-5-based catalysts.[3]

Application

3,4-Dimethylbenzaldehyde may be used in the synthesis of 3,4-dimethylmethcathinone (DMMC)[4] and 3,4-dimethyl-dibenzylidene sorbitol.[5]

Safety Information

• 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)