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CAS 100520-15-8

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Ethyl 4,6,6-trimethyl-1,3-cyclohexadiene-1-carboxylate

Description:
Ethyl 4,6,6-trimethyl-1,3-cyclohexadiene-1-carboxylate is an organic compound characterized by its unique bicyclic structure, which includes a cyclohexadiene framework. This compound features multiple methyl groups that contribute to its steric bulk and influence its reactivity and physical properties. As an ester, it contains a carboxylate functional group, which typically imparts solubility in polar solvents and can participate in various chemical reactions, such as esterification and hydrolysis. The presence of double bonds in the cyclohexadiene structure suggests potential for electrophilic addition reactions. Additionally, the compound may exhibit interesting optical properties due to its conjugated system. Its CAS number, 100520-15-8, allows for precise identification in chemical databases. While specific physical properties such as boiling point, melting point, and solubility are not detailed here, compounds of this nature often display moderate volatility and reactivity, making them of interest in synthetic organic chemistry and potential applications in materials science or pharmaceuticals.
Formula:C12H18O2
InChI:InChI=1S/C12H18O2/c1-5-14-11(13)10-7-6-9(2)8-12(10,3)4/h6-7H,5,8H2,1-4H3
InChI key:InChIKey=HWYHIAJMCCJYNM-UHFFFAOYSA-N
SMILES:CC1(C)C(C(OCC)=O)=CC=C(C)C1
Synonyms:
  • Ethyl 4,6,6-trimethyl-1,3-cyclohexadiene-1-carboxylate
  • 1,3-Cyclohexadiene-1-carboxylic acid, 4,6,6-trimethyl-, ethyl ester
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