CAS 5396-38-3

4-tert-Butylanisole

Description:

4-tert-Butylanisole, with the CAS number 5396-38-3, is an organic compound characterized by its aromatic structure, which includes a methoxy group (-OCH3) and a tert-butyl group (-C(CH3)3) attached to a benzene ring. This compound is typically a colorless to pale yellow liquid with a pleasant, sweet odor, making it useful in fragrance applications. It is relatively non-polar, which influences its solubility in organic solvents while being less soluble in water. The presence of the tert-butyl group enhances its steric bulk, contributing to its stability and affecting its reactivity. 4-tert-Butylanisole is often employed in the synthesis of various chemical intermediates and can also serve as a flavoring agent in food products. Its low toxicity profile makes it suitable for use in consumer products, although safety data should always be consulted for specific applications. Overall, 4-tert-Butylanisole is valued for its aromatic properties and versatility in organic synthesis.

Formula: C₁₁H₁₆O

InChI: InChI=1S/C11H16O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H3

InChI key: InChIKey=MCUPBIBNSTXCPQ-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C1=CC=C(OC)C=C1

Synonyms:

• 1-(1,1-Dimethylethyl)-4-methoxybenzene
• 1-Tert-Butyl-4-Methoxybenzene
• 3,6-dichloro-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-1-benzothiophene-2-carboxamide
• 4-(1,1-Dimethylethyl)anisole
• 4-Methoxy-tert-butylbenzene
• 4-tert-Butylmethoxybenzene
• 4-tert-Butylphenyl methyl ether
• Anisole, p-tert-butyl-
• Benzene, 1-(1,1-dimethylethyl)-4-methoxy-
• Methyl 4-tert-butylphenyl ether
• NSC 1266
• p-Methoxy-tert-butylbenzene
• p-tert-Butylanisole
• p-tert-Butylphenyl methyl ether

1-(tert-Butyl)-4-methoxybenzene

CAS: 5396-38-3

Formula: C₁₁H₁₆O

Purity: 98%

Color and Shape: Liquid

Molecular weight: 164.2441

Ref: IN-DA003M1K

4-(tert-Butyl)anisole

CAS: 5396-38-3

4-(tert-Butyl)anisole

Purity: 99%

Color and Shape: Colourless Liquid

Molecular weight: 164.24414g/mol

Ref: 54-OR2202

1-(tert-Butyl)-4-methoxybenzene

CAS: 5396-38-3

Formula: C₁₁H₁₆O

Purity: 98%

Color and Shape: Liquid

Molecular weight: 164.248

Ref: 10-F226271

4-tert-Butylanisole

CAS: 5396-38-3

4-tert-Butylanisole is an amide that has been shown to undergo conformational changes upon irradiation with light. The photochemical cleavage of the amide bond occurs with a quantum yield of 0.4 and produces a diphenyl ether and an acetonitrile derivative. This reaction mechanism has been proposed in order to explain the formation of a nitro group in the molecule, which is responsible for its labile nature. Labile molecules are those that can easily undergo decomposition or change their structure due to external influences, such as heat or light. 4-tert-Butylanisole also undergoes reductive elimination reactions when treated with ethyl bromoacetate, which leads to the formation of labile products as well.

Formula: C₁₁H₁₆O

Purity: Min. 95%

Molecular weight: 164.25 g/mol

Ref: 3D-FAA39638