4-methyl-1,3-dithiolane

4-methyl-1,3-dithiolane is an organic heterocyclic compound characterized by a five-membered ring containing two sulfur atoms and a methyl substituent at the 4-position. As a member of the dithiolane class, its molecular formula is C₄H₈S₂ and it has a molecular weight of approximately 120.24 g/mol. This compound exhibits a distinctive sulfurous odor with alliaceous, tomato-like nuances detectable at low concentrations, alongside a flavor profile reminiscent of onion and root vegetables. Its synonyms include 1,3-dithiolane, 4-methyl-. This substance is typically referenced in chemical databases such as PubChem and is derived synthetically for research purposes rather than isolated from natural sources. Its limited application scope reflects its specialised chemical characteristics within heterocyclic sulfur compounds.

4-methyl-1,3-dithiolane is not known to occur naturally in significant quantities but belongs to a class of compounds often investigated for their organosulfur properties. Its sulfurous odor and onion-like flavor attributes suggest relevance in studying odorant molecules found in alliaceous plants, though this compound itself is primarily of academic interest. It is not employed commercially in fragrances or flavoring agents, as confirmed by its classification under usage information indicating no recommended levels within food or perfumery. This aligns with regulatory contexts such as the FEMA (US) standards, which do not list it as approved for flavor or fragrance use. Its primary applicability lies in research related to sulfur heterocycles and their sensory or physicochemical behaviour.

4-methyl-1,3-dithiolane displays physical properties influenced by its sulfur heterocyclic structure and methyl substitution. It boils between 174 and 175°C at standard atmospheric pressure, reflecting moderate volatility. Its vapor pressure at 25°C is measured at approximately 1.578 mmHg, supporting low to moderate evaporation rates under ambient conditions. The flash point is reported as 144°F (approximately 62°C), denoting moderate flammability risks for handling and storage. The compound exhibits limited water solubility, estimated at about 1600 mg/L at 25°C, but it dissolves well in alcohol solvents, facilitating its use in certain chemical applications. The logP value is estimated near 1.09, indicating moderate lipophilicity with implications for partition behaviour in formulations. Collectively, these properties dictate careful consideration when evaluating solvent choices and environmental exposure potentials.

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
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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:
intraperitoneal-mouse LD50 1000 mg/kg European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.
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-1,3-dithiolane usage levels up to:
	not for fragrance use.
Recommendation for 4-methyl-1,3-dithiolane flavor usage levels up to:
	not for flavor use.

Safety references

EPI System: View

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EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :39655

National Institute of Allergy and Infectious Diseases:Data

4-methyl-1,3-dithiolane

Chemidplus:0050363434