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S-(methyl thio) butyrate
General Material Information
| Preferred name | S-(methyl thio) butyrate |
| Trivial Name | S-Methyl butanethioate |
| Short Description | methyl thiobutyrate |
| Formula | C5 H10 O S |
| CAS Number | 2432-51-1 |
| FEMA Number | 3310 |
| Flavis Number | 12.032 |
| ECHA Number | 219-407-1 |
| FDA UNII | 2P1E432MYZ |
| Nikkaji Number | J125.734J |
| MDL | MFCD00009872 |
| COE Number | 2328 |
| xLogP3-AA | 1.50 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 484 methyl thiobutyrate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 2432-51-1 ; METHYL THIOBUTYRATE |
| Synonyms |
|
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
| S-methyl butanethioate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2432-51-1 |
| Pubchem (cid): | 62444 |
| Pubchem (sid): | 135019141 |
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): | HMDB31191 |
| FooDB: | FDB003211 |
| Export Tariff Code: | 2930.90.9190 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | Methyl thiobutyrate |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 118.19889831543 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.444 to 9.469 |
| Refractive Index | 1.432 to 1.437 @ 20 °C |
| Boiling Point | 142 to 143°C @ 757 mm Hg |
| Boiling Point | 38 to 40°C @ 12 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 5.872 mmHg @ 25 °C |
| Vapor Density | 4 |
| Flash Point TCC Value | 34.44 °C TCC |
| logP (o/w) | 1.878 est |
| Solubility | |
| alcohol | Yes |
| diethyl ether | Yes |
| oils | Yes |
| propylene glycol | Yes |
| water, 9515 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Cheesy | |
| sulfurous, cheesy, cabbage, garlic, eggy, tomato, fruit tropical fruit | |
| General comment | At 0.10 % in propylene glycol. sulfury cheese putrid cabbage garlic |
| Mosciano, Gerard P&F 23, No. 6, 31, (1998) | At 1.00 % in ethyl alcohol. Sulfurous, egg and cheese notes, tomato, tropical-fruit top notes |
| Flavor Type: Musty | |
| musty, sulfurous, cheesy limburger cheese, metallic, cheesy | |
| Mosciano, Gerard P&F 23, No. 6, 31, (1998) | At 5.00 ppm. Musty, sulfureous, Limburger-type cheese top notes, metallic cheese body |
| For use in cheese, tomato and for sulfury notes in other savory flavors. | Musty |
| Finds use in extreme dilution in cheese, berry and chocolate flavors. A combination of this material and isobutyraldehyde is similar to the aroma of cocoa distillate. Normal use levels in finished consumer product: 0.0005-0.5 ppm. Council of Europe limits: Foods (5 ppm). | Cheesy |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Berry |
| Flavoring purposes | Candy , Cheese , Chocolate cocoa , Coffee , Cream , Cream ice cream , Dairy , Fruit tropical fruit , Garlic , Onion , Shellfish , Strawberry , Tomato , Vanilla , Yogurt |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for S-(methyl thio) butyrate usage levels up to: | |||
| 0.0300 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 2.90 (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: 5 | |||
| Click here to view publication 5 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 7.00000 | |
| beverages(nonalcoholic): | - | 0.00050 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.05000 | |
| fruit ices: | - | 0.05000 | |
| gelatins / puddings: | - | 0.06000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.50000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 0.06000 | |
| soups: | - | - | |
| 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):2432-51-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62444 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3272 |
| WGK Germany:3 |
| S-methyl butanethioate |
| Chemidplus:0002432511 |