CAS 358730-87-7

Phenol, 4-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-

Description:

Phenol, 4-[1,1-di(methyl-d3)ethyl-2,2,2-d3]- is a deuterated derivative of phenol, characterized by the presence of a phenolic hydroxyl group (-OH) attached to a substituted ethyl group. The deuterated methyl groups (methyl-d3) indicate that three hydrogen atoms in the methyl groups have been replaced with deuterium, a heavier isotope of hydrogen. This substitution can influence the compound's physical and chemical properties, such as its boiling point, solubility, and reactivity. The presence of the hydroxyl group contributes to the compound's acidity and ability to participate in hydrogen bonding, which can affect its solubility in polar solvents. Additionally, the deuterated nature of the compound makes it useful in various applications, including studies in isotope labeling and tracing in chemical reactions. Overall, this compound is of interest in both synthetic chemistry and analytical applications, particularly in the context of understanding reaction mechanisms and molecular interactions.

Formula: C₁₀H₅D₉O

InChI: InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3/i1D3,2D3,3D3

InChI key: InChIKey=QHPQWRBYOIRBIT-GQALSZNTSA-N

SMILES: C(C([2H])([2H])[2H])(C([2H])([2H])[2H])(C([2H])([2H])[2H])C1=CC=C(O)C=C1

Synonyms:

• 4-Tert-Butyl-D9-Phenol
• Phenol, 4-[1,1-di(methyl-d₃)ethyl-2,2,2-d₃]-
• Phenol, 4-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-

4-tert-Butylphenol-d9 (Major)

Controlled Product

CAS: 358730-87-7

Applications 4-tert-Butylphenol-D9 is the labelled analogue of 4-tert-Butylphenol (B694105). 4-tert-Butylphenol is a reactant in the preparation of (2-bromocyclopent-2-en-1-yl)phenols.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Speck, K., et. al.: Org. Lett., 17, 1982 (2015)

Formula: C₁₀H₅D₉O

Color and Shape: Neat

Molecular weight: 159.27

Ref: TR-B694104

4-tert-Butylphenol-d9

CAS: 358730-87-7

Please enquire for more information about 4-tert-Butylphenol-d9 including the price, delivery time and more detailed product information at the technical inquiry form on this page

Formula: C₁₀H₁₄O

Purity: Min. 95%

Molecular weight: 159.27 g/mol

Ref: 3D-IPA73087