CAS 16108-50-2

1-(2-Hydroxy-4,6-dimethylphenyl)ethanone

Description:

1-(2-Hydroxy-4,6-dimethylphenyl)ethanone, also known as a derivative of acetophenone, is an organic compound characterized by the presence of a hydroxyl group and a ketone functional group. Its molecular structure features a phenolic ring substituted with two methyl groups at the 4 and 6 positions, and a hydroxyl group at the 2 position, contributing to its reactivity and solubility properties. This compound typically appears as a solid or liquid, depending on the specific conditions, and is known for its potential applications in organic synthesis and as a building block in the production of various chemical intermediates. The presence of the hydroxyl group enhances its polarity, making it more soluble in polar solvents. Additionally, it may exhibit biological activity, which can be explored for pharmaceutical applications. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₁₀H₁₂O₂

InChI: InChI=1S/C10H12O2/c1-6-4-7(2)10(8(3)11)9(12)5-6/h4-5,12H,1-3H3

InChI key: InChIKey=AAPOVDIBCPRZPC-UHFFFAOYSA-N

SMILES: C(C)(=O)C1=C(C)C=C(C)C=C1O

Synonyms:

• 1-(2-Hydroxy-4,6-Dimethylphenyl)Ethanone
• 1-(2-Hydroxy-4,6-dimethylphenyl)ethan-1-one
• 2-Acetyl-3,5-dimethylphenol
• 2-Acetyl-3,5-xylenol
• 2′-Hydroxy-4′,6′-dimethylacetophenone
• 4′,6′-Dimethyl-2′-hydroxyacetophenone
• Acetophenone, 2′-hydroxy-4′,6′-dimethyl-
• Ethanone, 1-(2-hydroxy-4,6-dimethylphenyl)-
• 2'-Hydroxy-4',6'-dimethylacetophenone

Ethanone, 1-(2-hydroxy-4,6-dimethylphenyl)-

CAS: 16108-50-2

Formula: C₁₀H₁₂O₂

Purity: %

Color and Shape: Solid

Molecular weight: 164.2011

Ref: IN-DA001VMP

1-(2-Hydroxy-4,6-dimethylphenyl)ethan-1-one

CAS: 16108-50-2

1-(2-Hydroxy-4,6-dimethylphenyl)ethan-1-one

Purity: 95+%

Ref: 54-OR1038840

1-(2-Hydroxy-4,6-dimethylphenyl)ethan-1-one

CAS: 16108-50-2

Purity: 95+%

Molecular weight: 164.2039948

Ref: 10-F655942

1-(2-Hydroxy-4,6-dimethylphenyl)ethan-1-one

CAS: 16108-50-2

1-(2-Hydroxy-4,6-dimethylphenyl)ethan-1-one is an experimental molecule that is a hydrogen bond acceptor. It has a C3v conformation with the H atom in the hydroxymethyl group in a trans position and the methyl group on the opposite side of the ring. The experimentally determined frequencies for this molecule are in good agreement with those predicted by theory. This molecule has been observed to have a conformational change when it is protonated or deprotonated. In addition, this molecule can be used as an intermediate for polyhalogenating benzonitrile derivatives and carboxylic acids.

Formula: C₁₀H₁₂O₂

Purity: Min. 95%

Molecular weight: 164.2 g/mol

Ref: 3D-RAA10850