493856

3,4-Dimethylbenzaldehyde

98%

• Fórmula linear: (CH₃)₂C₆H₃CHO
• Número CAS: 5973-71-7
• Peso molecular: 134.18
• Número CE: 227-770-2
• Número MDL: MFCD00016612
• Código UNSPSC: 12352100
• ID de substância PubChem: 24872864
• NACRES: NA.22

Propriedades

• Nível de qualidade: 100
• Ensaio: 98%
• índice de refração: n20/D 1.551 (lit.)
• p.e.: 226 °C (lit.)
• densidade: 1.012 g/mL at 25 °C (lit.)
• grupo funcional: aldehyde
• cadeia de caracteres SMILES: Cc1ccc(C=O)cc1C
• InChI: 1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3
• chave InChI: POQJHLBMLVTHAU-UHFFFAOYSA-N

Descrição

Descrição geral

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]

Aplicação

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

Informações de segurança

• Código de classe de armazenamento: 11 - Combustible Solids
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): Not applicable
• Ponto de fulgor (°C): Not applicable
• Equipamento de proteção individual: Eyeshields, Gloves, type N95 (US)