1,3,3,5-tetramethyl-8-carbomethoxybicyclo(2.2.2)oct-5-ene

1,3,3,5-tetramethyl-8-carbomethoxybicyclo(2.2.2)oct-5-ene is a bicyclooctene compound with a green, minty, valerian-like odor profile.

General Material Description

1,3,3,5-tetramethyl-8-carbomethoxybicyclo(2.2.2)oct-5-ene is an organic bicyclic compound characterized by a methyl-substituted bicyclooctene skeleton with a carbomethoxy functional group. It appears as a colorless to pale liquid and is noted for its distinctive green, minty, and valerian-like odor qualities. This compound is identified by several synonyms including 1,3,3,5-tetramethyl-8-carbomethoxybicyclo-[2.2.2]-oct-5-ene. Its molecular structure is detailed in controlled vocabularies such as PubChem. Typically sourced through organic synthesis routes rather than natural extraction, it serves primarily as a compound of scientific interest rather than practical sensory use.

Occurrence, Applicability & Potential Uses

This compound does not naturally occur in biological systems and is not employed in commercial flavor or fragrance formulations. Its applications are currently limited to research and informational contexts where understanding bicyclic organic compounds is critical. Regulatory frameworks like REACH (European Union) provide guidelines for substances similar in structure; however, this compound itself has no sanctioned uses in consumer products. It holds potential as a reference material or in studies of structurally related odorants, but it is explicitly excluded from flavor and fragrance applications due to limited safety and usage data.

Physico-Chemical Properties Summary

The boiling point range of 1,3,3,5-tetramethyl-8-carbomethoxybicyclo(2.2.2)oct-5-ene spans from 76 to 145°C under reduced pressure at 1.2 mm Hg, indicating moderate volatility in low-pressure environments. This physical characteristic influences formulation considerations, particularly in processes requiring controlled evaporation or distillation. Its bicyclic, sterically hindered structure and presence of a carbomethoxy substituent suggest chemical stability under standard conditions but limited water solubility. The compound’s odor profile arises from molecular features that interact selectively with olfactory receptors linked to green and minty sensory perceptions.

FAQ

What is 1,3,3,5-tetramethyl-8-carbomethoxybicyclo(2.2.2)oct-5-ene?

1,3,3,5-tetramethyl-8-carbomethoxybicyclo(2.2.2)oct-5-ene is an organic bicyclic compound featuring four methyl groups and a carbomethoxy group attached to a bicyclooctene framework. It is recognized primarily for its characteristic green, minty, and valerian-like odor. The compound is mainly studied for academic and informational purposes rather than commercial use. It is structurally defined in databases such as PubChem and is distinguished by its relatively narrow boiling point range that supports moderate volatility.

Where does 1,3,3,5-tetramethyl-8-carbomethoxybicyclo(2.2.2)oct-5-ene occur and how is it used?

This compound does not occur naturally and has no known biological sources. It is primarily obtained through chemical synthesis in laboratory settings. Usage is limited to research contexts because it is not approved for use in flavors or fragrances. Its sensory properties, characterized by a green and minty odor, are of interest in studies of odorant molecular effects but it is not formulated into consumer products. Regulatory recommendations advise against its incorporation in flavor or fragrance formulas.

What regulations and safety information apply to 1,3,3,5-tetramethyl-8-carbomethoxybicyclo(2.2.2)oct-5-ene?

Safety assessments according to OSHA HCS standards (29 CFR 1910, US) indicate no classified hazards or precautionary statements for this chemical. Toxicity data for oral, dermal, and inhalation routes remain undetermined. Recommendations explicitly exclude its use in fragrance and flavor applications due to insufficient safety and usage data. While research citations exist in toxicology databases, no formal regulatory approvals support commercial use in consumer products. Users are advised to treat it as an informational substance without established safety profiles for human exposure.

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

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Literature & References

None found

Publications by US Patents
3,967,629 - Bicyclic fragrance materials and processes therefor

Other Information

General Material Information

Trivial Name	1,3,3,5-tetramethyl-8-carbomethoxybicyclo(2.2.2)oct-5-ene
Synonyms	1,3,3,5-tetramethyl-8-carbomethoxybicyclo-[2.2.2]-oct-5-ene 1,3,3,5-tetramethyl-8-carbomethoxybicyclo[2.2.2]oct-5-ene

PhysChem Properties

Material listed in food chemical codex	No
Boiling Point	76 to 145°C @ 1.2 mm Hg

Organoleptic Properties

Odor Type: Green
green, minty, valerian root
General comment	Green, minty, valerian

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 1,3,3,5-tetramethyl-8-carbomethoxybicyclo(2.2.2)oct-5-ene usage levels up to:
	not for fragrance use.

Recommendation for 1,3,3,5-tetramethyl-8-carbomethoxybicyclo(2.2.2)oct-5-ene flavor usage levels up to:
	not for flavor use.

Safety references

AIDS Citations:Search

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Toxicology Citations:Search