methyl propanesulfinate

Methyl propanesulfinate, also known as methyl propane sulfinate or 1-propanesulfinic acid, methyl ester, is a sulfur-containing organic ester with the molecular formula C4H10O2S. It appears as a colorless to pale liquid characterized by a distinct onion-like odor with cooked onion and fruity sweet backnotes when diluted. Its chemical structure incorporates a sulfinate group bonded to a methyl and propane moiety, placing it among sulfinic acid esters. Synonyms include methyl propane-1-sulfinate and 1-propane sulfinic acid, methyl ester. This compound is referenced in controlled-vocabulary databases such as PubChem and is primarily sourced or synthesized for research purposes rather than commercial use. Methyl propanesulfinate's sensory profile has been evaluated in propylene glycol and aqueous solutions at trace concentrations.

Methyl propanesulfinate naturally does not occur in known biological systems but may be studied within sulfur compound metabolism contexts. Its odor and flavor characteristics resemble cooked onion and sweet onion juice with a slight burning sensation at low concentrations. Despite these sensory notes, methyl propanesulfinate is not employed commercially in fragrance or flavor formulations. Regulatory guidance such as FEMA (US) codes classify it for information only, excluding it from use in consumer products. This status suggests its role is presently limited to scientific reference, analytical studies, or as a chemical intermediate in experimental settings. The compound's sulfur ester functionality informs related research into organosulfur compounds and their aromatic or flavor impacts.

The molecular structure of methyl propanesulfinate, comprising four carbons, ten hydrogens, two oxygens, and one sulfur atom, results in modest molecular weight and polarity. It exhibits solubility in water with an estimated concentration of over 73 grams per liter at 25 °C, facilitating its use in aqueous media for sensory evaluation. The compound has an estimated XLogP3-AA value of 0.60, indicating limited hydrophobicity and moderate lipophilicity, which influences its distribution in formulated systems. These properties align with its observed organoleptic effects at low parts-per-million levels. No significant hazards have been identified under OSHA Hazard Communication Standard classifications, and the compound lacks defined toxicity data, reflecting its limited commercial exposure. Its chemical stability, volatility, and odor potency warrant controlled handling primarily for research purposes.

	methyl propane-1-sulfinate
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	536502
Pubchem (sid):	39362217

(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

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 methyl propanesulfinate usage levels up to:
	not for fragrance use.
Recommendation for methyl propanesulfinate 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

Laboratory Chemical Safety Summary :536502

National Institute of Allergy and Infectious Diseases:Data

methyl propane-1-sulfinate