3-methyl-1,2-dithiolane

3-methyl-1,2-dithiolane is a heterocyclic organosulfur compound featuring a five-membered ring containing two neighboring sulfur atoms and a methyl substituent at the third position. Its molecular formula is C₄H₈S₂, with a molecular weight of approximately 120.24 g/mol. The compound typically appears as a volatile liquid possessing a distinctive sulfurous odor reminiscent of onion and cooked beef notes. It is also known by synonyms such as 3-methyldithiolane and 1,2-dithiolane, 3-methyl-. This compound is included within chemical databases, including PubChem. It is sourced typically via synthetic chemical routes rather than extraction from natural materials and is investigated primarily for its organoleptic features rather than practical fragrance or flavor applications.

3-methyl-1,2-dithiolane does not occur widely in nature but is structurally related to sulfur compounds found in some vegetables and sulfur-containing natural products. It possesses organoleptic properties that resemble sulfurous, onion-like, and cooked beef aromas, making it a subject of interest in flavor chemistry research. Despite these sensory profiles, it is not used commercially in flavor or fragrance formulations. Regulatory frameworks such as FEMA (US) recognize it mainly for informational purposes without established usage levels in consumer products. Its potential utility lies in exploring sulfur-containing flavor analogs or as a chemical reference in sensory studies focusing on meat and vegetable flavor profiles.

3-methyl-1,2-dithiolane is a volatile liquid characterized by a boiling point range between 159 and 160°C at standard atmospheric pressure (760 mmHg). It has an estimated log P value of 2.541, indicating moderate lipophilicity which influences its solubility and partitioning behavior. The compound exhibits a vapor pressure of approximately 3.243 mmHg at 25°C and a flash point measured at 171°F (approximately 77°C), denoting its flammability characteristics. Its solubility profile shows it is soluble in alcohol and somewhat soluble in water at around 525.9 mg/L (estimated) but generally considered insoluble in water under typical conditions. These properties affect its volatility, diffusion, and applicability within chemical or sensory research contexts.

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
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(IUPAC):	Periodic Table of the Elements
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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 3-methyl-1,2-dithiolane usage levels up to:
	not for fragrance use.
Recommendation for 3-methyl-1,2-dithiolane flavor usage levels up to:
	not for flavor use.

Safety references

EPI System: View

AIDS Citations:Search

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Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :525446

National Institute of Allergy and Infectious Diseases:Data

3-methyldithiolane