2-methyl-1,3-dithiane

2-methyl-1,3-dithiane is an organosulfur compound characterized by a heterocyclic ring containing two sulfur atoms and five carbon atoms, with the molecular formula C₅H₁₀S₂. It appears as a colorless liquid with a distinctive sulfurous odor and metallic onion flavor profile noted at low concentrations. This compound is also known by several synonyms including 1,3-dithiane, 2-methyl-, and acetaldehyde cyclic trimethylene mercaptal. Classified under the CAS number 6007-26-7, it is broadly studied for its physicochemical properties rather than widespread commercial application. The substance is linked in chemical databases such as PubChem. It is typically synthesized via organic transformations involving thiol and aldehyde chemistry rather than isolated directly from natural sources. 2-methyl-1,3-dithiane serves primarily for informational and research purposes, lacking authorized uses in fragrances or food flavoring.

While naturally occurring biological sources of 2-methyl-1,3-dithiane are not well documented, the compound is studied for its sulfurous olfactory characteristics. Its metallic onion-like flavor attribute suggests potential interest in vegetable flavor mimicking applications. However, current usage is restricted to informational contexts, as it is not approved for fragrance or flavor applications per regulatory bodies such as FEMA (US). No significant commercial use in consumer products exists, aligning with the absence of detailed safety and use level recommendations for flavor or fragrance formulations.

2-methyl-1,3-dithiane is a sulfur-containing heterocycle with moderate hydrophobicity, indicated by a calculated logP of approximately 2.27. It is a colorless liquid at room temperature, possessing a specific gravity of 1.121 at 25 °C. The compound's boiling point ranges narrowly from 201 to 202 °C under standard atmospheric pressure, indicating moderate volatility. Vapor pressure at 25 °C is low at 0.428 mmHg, reflecting limited volatility under ambient conditions. Solubility profiles show solubility in alcohol and slightly in water estimated around 537.6 mg/L, although generally it is considered poorly soluble in pure water. Its flash point is around 82 °C (180 °F), suggesting relative thermal stability at normal handling temperatures. These properties impact formulation considerations mainly for research or chemical synthesis contexts rather than consumer applications.

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Safety information

Preferred SDS: View
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 1200 mg/kg European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 461, 1984.
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
information only not used for fragrances or flavors
Recommendation for 2-methyl-1,3-dithiane usage levels up to:
	not for fragrance use.
Recommendation for 2-methyl-1,3-dithiane 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 :22329

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:3

2-methyl-1,3-dithiane

Chemidplus:0006007267

RTECS:JO5263000 for cas# 6007-26-7