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CAS 76811-97-7

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Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate

Description:
Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate, identified by its CAS number 76811-97-7, is an organic compound characterized by its ester functional group, which is typical of many fragrance and flavor compounds. This substance features a complex structure that includes a chloro substituent and a dimethylbenzene moiety, contributing to its unique chemical properties. It is likely to be a colorless to pale yellow liquid with a characteristic odor, typical of aromatic esters. The presence of the chloro group may impart specific reactivity, influencing its behavior in chemical reactions, such as nucleophilic substitutions. Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate may exhibit moderate solubility in organic solvents and limited solubility in water, which is common for many organic esters. Its applications could range from use in the synthesis of other chemical compounds to potential roles in the fragrance industry, although specific applications would depend on further research and regulatory assessments. Safety data should be consulted for handling and exposure guidelines.
Formula:C16H21ClO3
InChI:InChI=1S/C16H21ClO3/c1-4-20-15(19)16(2,3)13-9-7-12(8-10-13)14(18)6-5-11-17/h7-10H,4-6,11H2,1-3H3
InChI key:InChIKey=NQQITLVKOMJPDY-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)(C)(C)C1=CC=C(C(CCCCl)=O)C=C1
Synonyms:
  • Benzeneacetic Acid, 4-(4-Chloro-1-Oxobutyl)-Α,Α-Dimethyl-, Ethyl Ester
  • Ethyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate
  • Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetate
  • Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate
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  • Ethyl 4-(4-Chloro-1-oxobutyl)-α,α-dimethylphenylacetate
    TRC
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    Ethyl 4-(4-Chloro-1-oxobutyl)-α,α-dimethylphenylacetate

    Controlled Product
    CAS:
    <p>Applications Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetate is used as a reagent in the preparation of hydroxydiphenylmethylpiperidines as antihistaminics.<br>References Ayers, T. A., et al.: U.S. Pat. Appl. Publ. 19pp. (2003)<br></p>
    Formula:C16H21ClO3
    Color and Shape:Neat
    Molecular weight:296.789

    Ref: TR-E196110

    500mg
    1,022.00€