CAS 29790-29-2

2,4,4-Trimethyl-3-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one

Description:

2,4,4-Trimethyl-3-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one, with CAS number 29790-29-2, is an organic compound characterized by its complex structure, which includes a cyclohexene ring and multiple functional groups. This compound features a ketone group and an α,β-unsaturated carbonyl moiety, contributing to its reactivity and potential applications in organic synthesis. The presence of three methyl groups at the 2 and 4 positions of the cyclohexene ring enhances its steric bulk, influencing its chemical behavior and interactions. The compound is likely to exhibit properties typical of conjugated systems, such as UV-Vis absorbance, and may participate in various chemical reactions, including Michael additions and Diels-Alder reactions. Its structural features suggest potential uses in the synthesis of more complex molecules, possibly in the fields of pharmaceuticals or agrochemicals. However, specific physical properties such as boiling point, melting point, and solubility would need to be determined experimentally or sourced from reliable databases for detailed applications.

Formula: C₁₃H₁₈O₂

InChI: InChI=1S/C13H18O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6H,7-8H2,1-4H3/b6-5+

InChI key: InChIKey=OBHGOXFSRVNKBS-AATRIKPKSA-N

SMILES: C(=C/C(C)=O)\C=1C(C)(C)CCC(=O)C1C

Synonyms:

• 2,4,4-Trimethyl-3-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one
• 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-[(1E)-3-oxo-1-buten-1-yl]-
• trans-4-keto-β-Ionone
• 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-, (E)-
• 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-[(1E)-3-oxo-1-butenyl]-

Ionone Impurity 1

CAS: 29790-29-2

Formula: C₁₃H₁₈O₂

Color and Shape: White To Off-White Solid

Molecular weight: 206.29

Ref: 4Z-I-145003