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(2E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one(CAS: 23726-91-2)

(2E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
CAS Number

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Basic Information

Molecular Formula
C13H20O
Molecular Weight
192.3 g/mol

Physical Properties

Boiling Point
271 ºC

Chemical Identifiers

SMILES
C/C=C/C(=O)C1=C(CCCC1(C)C)C
InChIKey
BGTBFNDXYDYBEY-FNORWQNLSA-N

Database References

MDL Number
MFCD00661756

FAQ

(2E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one is a colorless liquid with a fruity odor. It has a molecular weight of approximately 194.33 g/mol and a boiling point of 166-167°C. The compound is slightly soluble in water but miscible with organic solvents. It is reactive and can undergo various chemical transformations under appropriate conditions.
(2E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one is synthesized via a multistep process starting from cyclohexene and methyl ketones. Common methods include Wittig reactions or olefination reactions, which often involve phosphorus ylides or Grignard reagents. The overall yield ranges from 50-70%, with good selectivity towards the desired product.
(2E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one is primarily used in the fragrance and flavor industry due to its fruity scent. It is also employed in the pharmaceutical industry for certain applications, such as intermediate synthesis in drug development. Additionally, it can be found in some polymer and sensor formulations.
When handling (2E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or under a fume hood. Store the compound in a cool, dry place away from sources of ignition. If a spill occurs, clean up immediately using appropriate safety procedures and consult the SDS for detailed instructions.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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