5- and 6-isopropyl-3,3-dimethyl bicyclo(2.2.2)octan-2-one

The compound 5- and 6-isopropyl-3,3-dimethyl bicyclo(2.2.2)octan-2-one is a bicyclic ketone characterized by a complex fused ring structure and alkyl substituents. It appears as a chemical substance associated with a distinctive dirty, valerian-like odor. Synonyms include several variations of its systematic name, reflecting minor differences in nomenclature format, such as 5-and 6-iso propyl-3,3-dimethylbicyclo-[2.2.2]-octan-2-one. This compound’s chemical framework positions it within the bicycloalkane ketone class, important in various synthetic organic contexts. It is documented in chemical reference databases including PubChem, serving as a reliable controlled vocabulary source. Unlike many odorants and flavoring agents, 5- and 6-isopropyl-3,3-dimethyl bicyclo(2.2.2)octan-2-one is primarily of academic or informational interest, not typically extracted or sourced for commercial fragrance or flavor manufacturing.

This compound does not occur naturally in biological systems or common natural sources used in fragrances or flavors. Its primary relevance lies in chemical research or structural analog studies rather than practical application in consumer products. The compound is not approved for use in fragrances or flavorings, as indicated by its absence in fragrance industry standards such as IFRA (Global). The available safety information categorizes it as an ingredient for information only, without recommended usage levels for olfactory or gustatory applications. As such, it serves more as a reference point in chemical databases than a participant in commercial formulation processes.

5- and 6-isopropyl-3,3-dimethyl bicyclo(2.2.2)octan-2-one comprises a bicyclic eight-carbon core with an embedded ketone functionality and substituted isopropyl and methyl groups. These structural features contribute to its relatively rigid molecular geometry and hydrophobic character. The ketone group imparts polar sites within the molecule, potentially affecting solubility and reactivity. While specific physical data such as melting and boiling points are scarce, the compound’s bicyclo(2.2.2)octane structure generally results in moderate volatility relevant to odor perception. Its chemical stability under ambient conditions and unreported toxicity profiles reflect limited use and study to date. These properties collectively limit its formulation utility and restrict applications in fragrance or flavor development.

None found

Safety information

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
information only not used for fragrances or flavors
Recommendation for 5- and 6-isopropyl-3,3-dimethyl bicyclo(2.2.2)octan-2-one usage levels up to:
	not for fragrance use.
Recommendation for 5- and 6-isopropyl-3,3-dimethyl bicyclo(2.2.2)octan-2-one flavor usage levels up to:
	not for flavor use.

Safety references

None found