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3,5-dimethyl-1,2-dithiolane

3,5-dimethyl-1,2-dithiolane is a sulfur-containing heterocycle exhibiting a cooked onion odor, utilized mainly for research and information rather than flavor or fragrance applications.

General Material Description

3,5-dimethyl-1,2-dithiolane is a heterocyclic organic compound characterized by a five-membered ring containing two sulfur atoms and methyl substitutions at positions 3 and 5. It is a colorless liquid exhibiting a distinct sulfurous and cooked onion aroma profile. This compound, also known by the synonym 1,2-dithiolane, 3,5-dimethyl-, has a molecular weight of approximately 134.26 g/mol and a molecular formula of C5H10S2. It can be sourced through synthetic chemical routes involving sulfur-containing precursors, with detailed chemical information documented in public databases such as PubChem. Although structurally related to compounds found in natural sulfur cycles, this specific compound is primarily handled within research contexts due to its distinctive organoleptic profile.

Occurrence, Applicability & Potential Uses

3,5-dimethyl-1,2-dithiolane does not have a significant natural occurrence but belongs to the class of organosulfur compounds commonly observed in sulfur-rich biological environments. This compound's potent sulfurous, cooked onion aroma has led to its investigation for flavoring purposes, particularly in recreating onion notes. However, according to regulatory classifications such as FEMA (US), it is not typically used in consumer fragrances or food flavorings. Its primary use remains informational or experimental, aiding understanding of sulfur heterocycles in aroma chemistry and related applications.

Physico-Chemical Properties Summary

This compound has a molecular weight of 134.26 g/mol and exhibits a boiling range from 171 to 172 °C at standard atmospheric pressure. Its logP value is approximately 3.08, indicating moderate lipophilicity, which influences its solubility and partitioning behavior in formulations. The vapor pressure measured at 25 °C is 1.9 mmHg, reflecting moderate volatility. Solubility tests show it dissolves well in alcohol but has minimal solubility in water. The flash point, assessed by the Tag Closed Cup method, is 74 °C (164 °F), a significant safety parameter for handling and storage. These properties collectively affect how 3,5-dimethyl-1,2-dithiolane behaves in chemical systems, particularly those involving flavor or aroma development.

FAQ

What is 3,5-dimethyl-1,2-dithiolane and what are its sensory properties?
3,5-dimethyl-1,2-dithiolane is a sulfur-containing heterocyclic compound with two sulfur atoms in a five-membered ring substituent. It has a characteristic sulfurous odor reminiscent of cooked or raw onion, often described as having a nutty or cooked vegetable note. This distinct aroma profile makes it of interest in flavor chemistry, though it mainly remains a research chemical rather than a widely applied flavoring agent.
How is 3,5-dimethyl-1,2-dithiolane typically used and where is it found?
Though 3,5-dimethyl-1,2-dithiolane is not commonly found in nature, it belongs to the family of sulfur heterocycles which appear in various biological contexts. The compound is primarily used for informational and research purposes, particularly in studies of sulfurous aroma compounds and their synthesis. It is not used commercially in fragrances or flavor formulations due to limited regulatory approval and application data.
What regulations apply to 3,5-dimethyl-1,2-dithiolane and where can it be sourced safely?
Regulatory frameworks such as FEMA (US) indicate that 3,5-dimethyl-1,2-dithiolane is not approved for fragrance or flavor use, and recommended exposure levels are unspecified due to limited commercial application. Safety data indicate no classical hazard classification under OSHA HCS standards, but toxicity profiles remain incompletely determined. Chemical suppliers provide this compound primarily for research and development, and users are advised to consult databases such as the EPA Substance Registry Services or PubChem for detailed information.

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

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
ChemSpider:View

General Material Information

Trivial Name 3,5-dimethyl-1,2-dithiolane
Short Description 1,2-dithiolane, 3,5-dimethyl-
Formula C5 H10 S2
CAS Number 95936-66-6
FDA UNII Search
NMR Predictor External link
Synonyms
  • 1,2-dithiolane, 3,5-dimethyl-

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 134.26469421387
Boiling Point 171 to 172°C @ 760 mm Hg
Vapor Pressure 1.902 mmHg @ 25 °C
Flash Point TCC Value 73.3 °C TCC
logP (o/w) 3.076 est
Solubility
alcohol Yes
water, 204.2 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
sulfurous, onion cooked onion
General comment At 0.10 % in dipropylene glycol. sulfurous onion cooked onion
Flavor Type: Onion
cooked, onion, vegetable, nutty
General comment Cooked onion cooked vegetable nutty

Potential Uses

Applications
Flavoring purposes Onion

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 3,5-dimethyl-1,2-dithiolane usage levels up to:
not for fragrance use.
Recommendation for 3,5-dimethyl-1,2-dithiolane flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
National Institute of Allergy and Infectious Diseases:Data
3,5-dimethyl-1,2-dithiolane