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5,5a,6,7,8,8a-hexahydro-6,6,7,8,8-pentamethyl-4H-indeno[5,4-D]isoxazole

5,5a,6,7,8,8a-hexahydro-6,6,7,8,8-pentamethyl-4H-indeno[5,4-D]isoxazole is a chemical compound characterized by a woody, earthy odor with green and patchouli notes.

General Material Description

5,5a,6,7,8,8a-hexahydro-6,6,7,8,8-pentamethyl-4H-indeno[5,4-D]isoxazole is an organic compound classified within the isoxazole chemical family. It presents as a complex bicyclic structure with multiple methyl substitutions, imparting unique characteristics to the molecule. Sensory evaluation describes its odor as woody with earthy and green nuances, accompanied by patchouli-like, cashmeran, and subtle aldehydic moss and amber notes, which contribute to a distinctive aromatic profile. This compound is indexed in chemical databases under controlled vocabularies such as PubChem, facilitating structural and property reference. Industrially, it is synthesized for research purposes rather than commercial fragrance or flavor production due to its specialized profile and application limitations.

Occurrence, Applicability & Potential Uses

This compound does not naturally occur in biological systems, and it is primarily of interest for informational and research applications. It is not intended or approved for use in fragrances or flavorings. Regulatory bodies track its safety data to inform usage restrictions. Standards including those from the REACH (EU) framework govern substances with limited or no direct consumer applications, emphasizing precautionary data collection. Its physicochemical profile enables exploration in chemical research contexts rather than commercial product formulation or biological incorporation.

Physico-Chemical Properties Summary

The compound exhibits properties influenced by its saturated bicyclic isoxazole core and pentamethyl substitution pattern, affecting molecular stability, hydrophobicity, and vapor pressure. These features contribute to its woody and earthy organoleptic character, pertinent when considering formulation environments. Its volatility is moderate, aligning with its odor detection threshold and sensory impact. The molecular structure promotes chemical robustness under standard ambient conditions, with no significant hazard classifications reported according to OSHA HCS (US) guidelines. These properties restrict its practical applications predominantly to analytical and informational usage rather than consumer-oriented formulations.

FAQ

What is 5,5a,6,7,8,8a-hexahydro-6,6,7,8,8-pentamethyl-4H-indeno[5,4-D]isoxazole?
It is a complex organic compound belonging to the isoxazole class, notable for its woody, earthy scent profile with green, patchouli, and amber notes. The molecule features a saturated indenoisoxazole skeleton with multiple methyl groups, influencing its sensory and chemical properties. This chemical is not commonly used in consumer fragrances or flavors but serves as a subject for informational and research purposes within chemical sciences.
How is 5,5a,6,7,8,8a-hexahydro-6,6,7,8,8-pentamethyl-4H-indeno[5,4-D]isoxazole typically used and where is it found?
The compound is not naturally occurring and is primarily utilized for informational and research investigations rather than direct applications. It is not included in fragrance or flavor formulations due to use restrictions. Handling and study of this chemical occur within controlled laboratory settings where its odor characteristics and molecular properties are of interest to chemists and sensory scientists.
What safety and regulatory considerations apply to 5,5a,6,7,8,8a-hexahydro-6,6,7,8,8-pentamethyl-4H-indeno[5,4-D]isoxazole?
No hazard classifications have been established under the OSHA HCS (US) system, and there are no identified GHS label elements or precautionary statements. Toxicological data such as oral, dermal, and inhalation toxicity remain undetermined. Recommended usage excludes this compound from fragrance and flavor products, reflecting precautionary regulatory standards. Searches for toxicological and safety studies can be pursued in biomedical databases but indicate limited application relevance.

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

None found
Publications by US Patents
8,557,876 - Pyrimidine derivatives and their use in perfume compositions

Other Information

General Material Information

Trivial Name 5,5a,6,7,8,8a-hexahydro-6,6,7,8,8-pentamethyl-4H-indeno[5,4-D]isoxazole
Synonyms
  • 5,5a,6,7,8,8a- hexahydro-6,6,7,8,8-pentamethyl-4H-indeno[5,4-D]isoxazole

PhysChem Properties

Material listed in food chemical codex No

Organoleptic Properties

Odor Type: Woody
woody, earthy, green, patchouli, musk, moldy, cucumber, aldehydic, mossy, amber
General comment Woody earthy green patchouli cashmeran moldy cucumber aldehydic moss amber

Safety Information

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 5,5a,6,7,8,8a-hexahydro-6,6,7,8,8-pentamethyl-4H-indeno[5,4-D]isoxazole usage levels up to:
not for fragrance use.
Recommendation for 5,5a,6,7,8,8a-hexahydro-6,6,7,8,8-pentamethyl-4H-indeno[5,4-D]isoxazole flavor usage levels up to:
not for flavor use.

Safety references

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