6839-81-2

Basic information

• Product Name: 3-(2,4-dimethylphenyl)-2-methylpropanal
• CAS NO: 6839-81-2
• Molecular Formula: C₁₂H₁₆O
• Molecular Weight: 176.2548
• Mol File: 6839-81-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 259.7°C at 760 mmHg
• Flash Point: 117.2°C
• Density: 0.95g/cm³
• Vapor Pressure: 0.0128mmHg at 25°C
• Refractive Index: 1.503
• CAS DataBase Reference: 3-(2,4-dimethylphenyl)-2-methylpropanal(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2,4-dimethylphenyl)-2-methylpropanal(6839-81-2)
• EPA Substance Registry System: 3-(2,4-dimethylphenyl)-2-methylpropanal(6839-81-2)

Safety Data

• Hazardous Substances Data: 6839-81-2(Hazardous Substances Data)

Upstream product

• 105984-60-9 2-methyl-3-p-tolylpropan-1-ol 
• 180274-16-2 1-(3-Methoxymethoxy-2-methyl-propyl)-4-methyl-benzene 
• 180274-23-1 (+/-)-1,3,4,5-tetrahydro-4,8-dimethyl-2-benzoxepin 
• 180274-28-6 (+/-)-3-(2,4-dimethylphenyl)-2-methylpropan-1-ol 
• 6996-24-3 1-Acetoxy-2-methyl-3-(2,4-dimethyl-phenyl)-propen-⁽¹⁾ 

Relevant articles and documents

96. Synthesis of 1,3,4,5-tetrahydro-2-benzoxepin derivatives as conformationally restricted analogues of cyclamenaldehyde-type compounds and as intermediates for highly odour-active homologues

Nine 1,3,4,5-tetrahydro-2-benzoxepin derivatives have been prepared as mimics of the folded (gauche) conformation of cyclamenaldehyde (1) and related compounds, but none of them showed the typical lily-of-the valley (muguet) odour activity. However, conversion of these substances to previously unknown analogues of 1 having a Me substituent on the aromatic ring in an ortho position to the side chain led to new fragrance substances with remarkable properties. The results indicate that the extended (anti) conformation is more likely to be the 'bioactive' one at the receptor site(s).