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furfuryl propyl sulfide

Furfuryl propyl sulfide is a sulfur-containing organic compound recognized for its onion-like flavor note and specific physico-chemical properties, mainly used for informational purposes.

General Material Description

Furfuryl propyl sulfide, also referred to by its trivial name 2-[(propylsulfanyl)methyl]furan, is a sulfur-containing heterocyclic organic compound with the molecular formula C9H14S. It appears as a compound with specific sensory characteristics notably an onion-like aroma profile. This compound belongs to the class of organosulfur chemicals characterized by a furan ring bound to a propylsulfanyl side group, which contributes to its distinctive organoleptic properties. The substance is cataloged under various chemical identifiers and documented in [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/528330) reflecting its recognized chemical structure and properties. Furfuryl propyl sulfide is derived synthetically and is not typically isolated from natural sources in significant amounts. Its usage is restricted to informational and research contexts rather than commercial flavor or fragrance applications.

Occurrence, Applicability & Potential Uses

Furfuryl propyl sulfide is not naturally prevalent in biological systems but is a synthetic organosulfur compound mainly of interest for chemical characterization. Due to its potent onion flavor note, there might be interest in its sensory relevance as a reference or comparative compound. It does not see use in the formulation of fragrances or food flavors, as confirmed by regulatory recommendations. The substance is primarily retained within informational repositories or research environments for study rather than commercial application. Its handling and potential use fall outside the scope of the flavor and fragrance industries under standards such as FEMA (US), reflecting its non-inclusion in regulated product categories.

Physico-Chemical Properties Summary

Furfuryl propyl sulfide exhibits a moderate estimated partition coefficient (log P) of approximately 2.8, indicating moderate lipophilicity which influences its solubility and interaction with solvents. It has a vapor pressure of 0.335 mmHg measured at 25 °C, demonstrating moderate volatility relevant to handling and potential evaporation. The flash point is reported as 174 °F (approximately 79 °C), which provides information about its flammability threshold. The compound is soluble in alcohol solvents and has an estimated low solubility in water near 203.4 mg/L at 25 °C, signifying limited aqueous dispersibility. These properties collectively inform considerations in formulation, storage, and experimental use contexts.

FAQ

What is furfuryl propyl sulfide and what are its main characteristics?
Furfuryl propyl sulfide is an organosulfur compound characterized by the presence of a furan ring attached to a propylsulfanyl group. It is known for an onion-like aroma and has a molecular formula of C9H14S with a molecular weight of about 154.3 g/mol. This compound displays moderate volatility and solubility in alcohols and a limited solubility in water. It is primarily of interest within chemical research rather than commercial fragrance or flavor applications.
Where is furfuryl propyl sulfide commonly found or applied?
Furfuryl propyl sulfide is not naturally abundant and is synthesized mainly for chemical study rather than practical use. It is not employed in fragrance or flavor formulations due to lack of approval and application standards. Instead, its utility is confined to scientific information and analytical contexts, where its properties may be compared or analyzed among sulfur-containing heterocycles.
What regulations or safety considerations exist for furfuryl propyl sulfide?
Available safety data indicate that no specific hazard classifications apply to furfuryl propyl sulfide under OSHA HCS regulations (29 CFR 1910), and there are no documented precautionary statements. Usage recommendations exclude this compound from flavor and fragrance applications. Its safety profile has not been fully determined for oral, dermal, or inhalation toxicity, advising careful handling in research settings. Regulatory databases such as EPA TSCA include informational listings but do not designate commercial authorization.

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

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Literature & References

2-[(propylsulfanyl)methyl]furan
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):528330
Pubchem (cas):NF0076
Pherobase:View
Publications by Google Patents
Furfuryl propyl disulfide as a flavoring agent and methods for preparing and using same
Flavoring agent
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines
Flavoring agent

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
EFSA Update of results on the monitoring of furan levels in food:Read Report
EFSA Previous report: Results on the monitoring of furan levels in food:Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food:Read Report

General Material Information

Preferred name furfuryl propyl sulfide
Trivial Name 2-[(propylsulfanyl)methyl]furan
Formula C9 H14 S
xLogP3-AA 2.80 (est)
NMR Predictor External link
Synonyms
  • 2-[( propylsulfanyl)methyl]furan

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 154.27557373047
Vapor Pressure 0.335 mmHg @ 25 °C
Flash Point TCC Value 78.8 °C TCC
logP (o/w) 2.785 est
Solubility
alcohol Yes
water, 203.4 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Flavor Type: Onion
onion, alliaceous
General comment 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 furfuryl propyl sulfide usage levels up to:
not for fragrance use.
Recommendation for furfuryl propyl sulfide flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
Laboratory Chemical Safety Summary :528330
2-[(propylsulfanyl)methyl]furan