4-Hydroxy-3,5-dimethylbenzaldehyde

CAS: 2233-18-3

Ref. 3D-FH11334

Product Information

• Name: 4-Hydroxy-3,5-dimethylbenzaldehyde
• Synonyms: 3,5-Dimethyl-4-hydroxybenzaldehyde
• Brand: Biosynth
• Description: 4-Hydroxy-3,5-dimethylbenzaldehyde (HDA) is an aromatic hydrocarbon that can be found in plants. It is a product of the oxidation of hydroxyl groups by inorganic acids and has been shown to induce hepatic steatosis in mice. This reaction is mediated by malic acid, which reacts with the benzyl group to form a cavity. The molecular modeling study of this reaction mechanism shows that the carboxylate group deprotonates, which leads to the formation of a carbocation intermediate when it attacks the aromatic ring. The aromatic ring opens up during this step, leading to a carbocation. The carbocation then collapses and hydrogen from the hydroxyl group attaches to carbon 2 on C4, forming HDA and releasing water.

Chemical properties

• Molecular weight: 150.17 g/mol
• Formula: C₉H₁₀O₂
• Purity: Min. 95%
• Color/Form: Off-White Powder
• InChI: InChI=1S/C9H10O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-5,11H,1-2H3
• InChI key: InChIKey=UYGBSRJODQHNLQ-UHFFFAOYSA-N
• SMILES: Cc1cc(C=O)cc(C)c1O