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1,2-butane dithiol
1,2-butane dithiol is a sulfurous compound characterized by its presence in onions and utilization as a flavoring agent in meat products.
General Material Description
1,2-butane dithiol is an organosulfur compound with the molecular formula C4H10S2, featuring two thiol groups on adjacent carbons of a butane chain. It typically appears as a colorless to pale-yellow liquid and is known for its strong sulfurous odor reminiscent of roasted meat at dilute concentrations. This substance is referenced under various synonyms, including butane-1,2-dithiol and 1,2-dimercaptobutane. It links to the controlled vocabulary entry at PubChem CID 61829. The compound is naturally found in onions and derived through synthetic and extraction processes applied in flavor chemistry. Due to its pungent odor and flavor profile, it is primarily utilized for meat flavoring purposes.
Occurrence, Applicability & Potential Uses
1,2-butane dithiol naturally occurs in Allium species such as onions, contributing to their characteristic sulfurous aromas. Its distinct odorous profile makes it suitable as a flavoring agent in food formulations, particularly enhancing meat products. It has been evaluated and listed under FEMA (US) as a Generally Recognized As Safe (GRAS) flavoring substance with the FEMA number 3528. Its use in food is carefully regulated and dosing levels are limited to ensure safety and desired sensory impact. Besides meat flavorings, research suggests potential applications in complex flavor mixtures requiring sulfurous notes.
Physico-Chemical Properties Summary
The compound demonstrates moderate hydrophobicity, indicated by a logP estimated at 2.443, with solubility in fats and limited water solubility around 1524 mg/L at 25 °C. It exhibits a specific gravity range of 1.035 to 1.039 at 20 °C and a refractive index near 1.521 to 1.525 at the same temperature. The vapor pressure is measured at approximately 1.467 mmHg at 25 °C, which affects its volatility and application in flavor delivery. The flash point is 142 °F (about 61 °C) by Tag Closed Cup method, suggesting moderate flammability precautions in handling and formulation. These properties influence its evaporation rate, stability in mixtures, and compatibility with various food matrices.
FAQ
What is 1,2-butane dithiol and what are its sensory characteristics?
1,2-butane dithiol is a sulfur-containing organic compound with two thiol groups on a butane backbone. It is known for a strong sulfurous odor resembling roasted meat, which makes it significant in flavor chemistry. This compound is detected in natural sources such as onions and is used primarily as a flavoring agent in meat products.
How is 1,2-butane dithiol used and where does it naturally occur?
This compound naturally occurs in onions, contributing to their distinctive aroma profile. In the food industry, 1,2-butane dithiol is applied as a flavoring agent to impart savory, sulfurous notes to meat and related products. Its application levels are regulated to maintain the desired flavor impact without adverse effects.
What regulations govern the use of 1,2-butane dithiol and how is it sourced?
1,2-butane dithiol is recognized and approved as a flavoring substance by FEMA (US) under number 3528, classified as Generally Recognized As Safe (GRAS) for flavor use. It is sourced either through extraction from natural precursors such as onions or synthetic chemical routes, adhering to safety and purity standards relevant to food-grade flavor ingredients.
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 |
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 |
| HMDB (The Human Metabolome Database): | HMDB41492 |
| FooDB: | FDB021462 |
| Export Tariff Code: | 2930.90.9190 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | 1,2-Butanedithiol |
General Material Information
| Preferred name | 1,2-butane dithiol |
| Trivial Name | 1,2-Butanedithiol |
| Short Description | 1,2-butanedithiol |
| Formula | C4 H10 S2 |
| CAS Number | 16128-68-0 |
| FEMA Number | 3528 |
| Flavis Number | 12.072 |
| ECHA Number | 240-290-8 |
| FDA UNII | 2L7E5T7FUM |
| Nikkaji Number | J286.825C |
| MDL | MFCD00039649 |
| COE Number | 11909 |
| xLogP3-AA | 1.80 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 537 1,2-butanedithiol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 16128-68-0 ; 1,2-BUTANEDITHIOL |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 122.25370025635 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.622 to 8.656 |
| Refractive Index | 1.521 to 1.525 @ 20 °C |
| Vapor Pressure | 1.467 mmHg @ 25 °C |
| Flash Point TCC Value | 61.11 °C TCC |
| logP (o/w) | 2.443 est |
| Solubility | |
| fats | Yes |
| water, 1524 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Sulfurous | |
| sulfurous, meaty roasted meaty | |
| General comment | At 0.10 % in propylene glycol. sulfur roasted meat |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Flavoring purposes | Meat |
Safety Information
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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for 1,2-butane dithiol usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (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):16128-68-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61829 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| butane-1,2-dithiol |
| Chemidplus:0016128680 |