4-methyl-2-(1-methyl propyl)-1,3-oxathiane

4-methyl-2-(1-methyl propyl)-1,3-oxathiane is a chemical compound classified as a sulfur-containing heterocyclic molecule. It carries a molecular structure that features both sulfur and oxygen atoms within a six-membered ring, alongside alkyl substituents. This compound exhibits a distinctive odor profile described primarily as citrus, accompanied by green and sulfury nuances reminiscent of grapefruit, lime, and fresh vegetable notes. Known synonymously as 4-methyl-2-(1-methylpropyl)-1,3-oxathiane, it is characterized by its odor properties rather than by physical appearance or commercial availability. PubChem provides comprehensive chemical data on this substance. It is mainly researched as an odorant chemical and is not commercially sourced or used in fragrance and flavor formulations.

4-methyl-2-(1-methyl propyl)-1,3-oxathiane has been studied for its odor profile but is not naturally abundant or commercially extracted for widespread industrial use. This compound is presently recognized as a research chemical rather than a functional additive in fragrance or flavor industries, as confirmed by its non-inclusion in use regulations and recommendations by agencies such as FEMA (US). Its citrus and sulfury aroma characteristics are of scientific interest in the study of sulfur heterocycles and odor perception mechanisms, yet it remains classified outside typical applications. Thus, it primarily serves informational and investigational purposes within chemical odorant research contexts.

The compound belongs to the class of heterocyclic sulfur-oxygen molecules, which often impart distinctive sensory properties due to their molecular configuration. The presence of alkyl groups attached to the oxathiane ring influences its volatility and solubility, contributing to its detectable odor at low concentrations. Although detailed thermodynamic properties and partition coefficients are not widely reported, its molecular framework suggests moderate volatility appropriate for gas-phase olfactory detection. The substituent pattern impacts electronic distribution, possibly affecting stability and reactivity. Without specific hazard classifications or toxicity data, practical formulation considerations are limited. Its characteristic citrus and green sulfury notes inform potential sensory applications despite the current lack of authorized use in formulations.

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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 4-methyl-2-(1-methyl propyl)-1,3-oxathiane usage levels up to:
	not for fragrance use.
Recommendation for 4-methyl-2-(1-methyl propyl)-1,3-oxathiane flavor usage levels up to:
	not for flavor use.

Safety references

None found