We have found
46589
results matching your criteria.
Please wait while we search...
1,3-propane dithiol
1,3-propane dithiol is a sulfur-containing organic compound notable for its meaty odor and use as a flavoring agent in food products.
General Material Description
1,3-propane dithiol is an organosulfur compound with the molecular formula C3H8S2. It is also known by synonyms such as 1,3-dimercaptopropane and propane-1,3-dithiol. This compound appears as a colorless to pale liquid exhibiting a characteristic meaty and sulfurous odor. Classified under PubChem CID 8013, 1,3-propane dithiol is commonly derived through synthetic processes for use primarily in flavoring applications. Its sulfur-containing structure contributes to its strong sensory profile, making it valuable in imparting meat-like notes to food formulations. The compound's controlled vocabulary link can be found at PubChem.
Occurrence, Applicability & Potential Uses
1,3-propane dithiol occurs predominantly as a synthesized compound and is not broadly found in nature in significant concentrations. It is widely applied in the flavor industry to enhance meaty aromas and tastes in various food products. This compound is recognized and regulated by the Flavor and Extract Manufacturers Association (FEMA) in the United States under number 3588, confirming its use as a flavoring agent. Potential uses include addition to meat flavor profiles and processed food to simulate or augment savory sulfurous notes. Its use concentrations are carefully controlled due to its potent odor and functional properties.
Physico-Chemical Properties Summary
The compound's physicochemical characteristics strongly influence its performance in flavor formulations. 1,3-propane dithiol exhibits a molecular weight around 108.23 g/mol. It has a boiling point range of 169 to 173 °C at atmospheric pressure and a specific gravity near 1.078 at 25 °C. Its estimated log P value of approximately 1.73 suggests moderate lipophilicity, supporting solubility in fats and alcohols, which facilitates incorporation into food matrices. Its water solubility is limited but sufficient at about 3880 mg/L at 25 °C. The flash point is recorded near 61 °C (142 °F), informing safe handling protocols. These properties contribute to its volatility, sensory perception intensity, and compatibility in flavor applications.
FAQ
What is 1,3-propane dithiol and how is it characterized?
1,3-propane dithiol is an organosulfur compound consisting of a three-carbon chain with two thiol groups at the first and third positions. It is characterized by a distinctive meaty and sulfurous odor, making it useful in flavor creation. The compound’s molecular formula is C3H8S2, and it presents as a colorless liquid with moderate volatility and stability under standard conditions.
Where is 1,3-propane dithiol used and what are its applications?
Primarily synthesized for industrial use, 1,3-propane dithiol is applied as a flavoring agent to impart meaty and savory characteristics in food products. Its chemical properties allow effective blending with fats and alcohols, facilitating incorporation into complex food matrices. Use levels are regulated to optimize flavor impact while minimizing any overpowering sulfur notes.
What regulations affect the use and sourcing of 1,3-propane dithiol in foods?
1,3-propane dithiol is regulated by organizations such as FEMA (US) and JECFA (FAO/WHO), which assess its safety and permissible usage in food flavors. FEMA assigns it number 3588 in its flavor ingredient library. Usage guidelines defined by these agencies help ensure consumer safety and quality. Regulatory documentation and safety data sheets are accessible for compliance verification and safe handling.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| propane-1,3-dithiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 109-80-8 |
| Pubchem (cid): | 8013 |
| Pubchem (sid): | 134973858 |
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31632 |
| FooDB: | FDB008277 |
| Export Tariff Code: | 2930.90.9190 |
| ChemSpider: | View |
| FAO: | 1,3-Propanedithiol |
General Material Information
| Preferred name | 1,3-propane dithiol |
| Trivial Name | 1,3-Propanedithiol |
| Short Description | 1,3-propanedithiol |
| Formula | C3 H8 S2 |
| CAS Number | 109-80-8 |
| FEMA Number | 3588 |
| Flavis Number | 12.076 |
| ECHA Number | 203-706-9 |
| FDA UNII | R4LUJ82U52 |
| Nikkaji Number | J4.503I |
| Beilstein Number | 1071197 |
| MDL | MFCD00004904 |
| COE Number | 11929 |
| xLogP3-AA | 1.20 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 535 1,3-propanedithiol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 109-80-8 ; 1,3-PROPANEDITHIOL |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 108.22676086426 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.962 to 8.97 |
| Refractive Index | 1.537 to 1.539 @ 20 °C |
| Boiling Point | 169 to 173°C @ 760 mm Hg |
| Vapor Pressure | 1.952 mmHg @ 25 °C |
| Flash Point TCC Value | 61.11 °C TCC |
| logP (o/w) | 1.73 est |
| Solubility | |
| alcohol | Yes |
| fats | Yes |
| water, 3880 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Meaty | |
| meaty, sulfurous | |
| General comment | At 0.10 % in propylene glycol. meaty sulfurous |
Potential Uses
| Applications | |
| Flavoring purposes | Meat |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 03/07/09 - Keep container tightly closed in cool, well-ventilated place. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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: | |
| oral-rat LD50 100 - 200 mg/kg (Eastman Kodak Co., 1955b) oral-mouse LD50 1070 mg/kg Reported as ALD (Approximate Lethal Dose) (Schafer & Bowles, 1985) intravenous-cat LD50 28 mg/kg BEHAVIORAL: TREMOR GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacology and Experimental Therapeutics. Vol. 87(Suppl), Pg. 6, 1946. oral-mouse LDLo 1070 mg/kg Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for 1,3-propane dithiol usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.85 (μg/capita/day) | ||
| Structure Class: | I | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 11 | |||
| Click here to view publication 11 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.20000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | 0.20000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 0.20000 | |
| milk products: | - | - | |
| nut products: | - | 0.20000 | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | 0.20000 | |
| soft candy: | - | - | |
| soups: | - | 0.20000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20 View page or View pdf |
| Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):109-80-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8013 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| propane-1,3-dithiol |
| Chemidplus:0000109808 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:TZ2585500 for cas# 109-80-8 |