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methyl thio isovalerate
General Material Information
| Preferred name | methyl thio isovalerate |
| Trivial Name | S-Methyl 3-methylbutanethioate |
| Short Description | S-methyl 3-methylbutanethioate |
| Formula | C6 H12 O S |
| CAS Number | 23747-45-7 |
| FEMA Number | 3864 |
| Flavis Number | 12.157 |
| ECHA Number | 245-863-6 |
| FDA UNII | UB23WZ59H0 |
| Nikkaji Number | J242.666H |
| COE Number | 11506 |
| xLogP3-AA | 1.90 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 487 S-methyl 3-methylbutanethioate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 23747-45-7 ; S-METHYL 3-METHYLBUTANETHIOATE |
| 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 3-methylbutanethioate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 90246 |
| Pubchem (sid): | 135046996 |
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): | HMDB39843 |
| FooDB: | FDB019497 |
| Export Tariff Code: | 2930.90.9999 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | S-Methyl 3-methylbutanethioate |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 132.22584533691 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.78 to 7.822 |
| Boiling Point | 157 to 158°C @ 760 mm Hg |
| Vapor Pressure | 2.672 mmHg @ 25 °C |
| Flash Point TCC Value | 43.89 °C TCC |
| logP (o/w) | 2.232 est |
| Solubility | |
| alcohol | Yes |
| peanut oil | Yes |
| water, 3701 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Cheesy | |
| sharp, ripe, cheesy, sulfurous, acidic, fermented, tomato, mushroom, potato, vegetable, dairy | |
| General comment | At 0.10 % in propylene glycol. sharp ripe cheese sulfury acrid fermented tomato mushroom |
| Mosciano, Gerard P&F 25, No. 3, 25, (2000) | At 1.00 %. Sharp ripe cheesy, sulfurous, acrid fermented with tomato, mushroom and potato vegetative notes and dairy cheesy nuances |
| Flavor Type: Fermented | |
| fermented, creamy, dairy, cheesy, vegetable | |
| Mosciano, Gerard P&F 25, No. 3, 25, (2000) | At 2.50 - 5.00 ppm. Intense fermented, creamy dairy and cheesy with vegetative nuances |
| Use: at 1-2.5ppm, in fermented cheese, fermented fruit, blueberry; and meat and savory flavors. We also produce S-Methyl thioacetate, S-Methyl thiobutyrate, S-Methyl thiopropionate, and S-Methyl 4-methylpentanethioate. | Creamy |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Flavoring purposes | Blueberry , Cheese , Citrus , Dairy , Fruit tropical fruit , Guava , Lychee , Papaya , Strawberry , Vegetable |
Safety Information
Safety information
| 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: | |||
| flavoring agents | |||
| Recommendation for methyl thio isovalerate 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: 18 | |||
| Click here to view publication 18 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 1.50000 | 7.50000 | |
| beverages(nonalcoholic): | 0.10000 | 5.00000 | |
| beverages(alcoholic): | 0.00500 | 0.01500 | |
| breakfast cereal: | 0.30000 | 5.00000 | |
| cheese: | 0.50000 | 1.50000 | |
| chewing gum: | 0.01000 | 0.03000 | |
| condiments / relishes: | 0.02000 | 0.10000 | |
| confectionery froastings: | 0.01000 | 0.03000 | |
| egg products: | 0.20000 | 0.60000 | |
| fats / oils: | 0.20000 | 0.60000 | |
| fish products: | 0.05000 | 0.15000 | |
| frozen dairy: | 0.20000 | 5.00000 | |
| fruit ices: | 0.01000 | 0.03000 | |
| gelatins / puddings: | 0.01000 | 0.03000 | |
| granulated sugar: | - | - | |
| gravies: | 0.05000 | 5.00000 | |
| hard candy: | 0.01000 | 0.03000 | |
| imitation dairy: | 0.20000 | 1.00000 | |
| instant coffee / tea: | 0.00500 | 0.02500 | |
| jams / jellies: | 0.01000 | 0.05000 | |
| meat products: | 0.05000 | 5.00000 | |
| milk products: | 0.05000 | 5.00000 | |
| nut products: | 0.02000 | 0.06000 | |
| other grains: | 0.20000 | 1.00000 | |
| poultry: | 0.05000 | 0.15000 | |
| processed fruits: | 0.01000 | 0.03000 | |
| processed vegetables: | 0.01000 | 0.03000 | |
| reconstituted vegetables: | 0.01000 | 0.10000 | |
| seasonings / flavors: | 200.00000 | 10000.00000 | |
| snack foods: | 0.50000 | 1.50000 | |
| soft candy: | 0.01000 | 5.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | 0.05000 | 5.00000 | |
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):23747-45-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :90246 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3272 |
| WGK Germany:3 |
| S-methyl 3-methylbutanethioate |
| Chemidplus:0023747457 |