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S-(3-methylbut-2-enyl) ethanethioate
Notes:
Flavouring ingredient
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 33049-93-3 |  3D/inchi
|
| FDA UNII: | 8UI6K2036L | |
| Nikkaji Web: | J390.558F | |
| XlogP3-AA: | 2.20 (est) | |
| Molecular Weight: | 144.23684000 | |
| Formula: | C7 H12 O S | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 491 prenyl thioacetate |
| DG SANTE Food Flavourings: | 12.195 S-prenyl thioacetate |
| FEMA Number: | 3895 prenyl thioacetate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 33049-93-3 ; PRENYL THIOACETATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 99.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.96400 to 0.96900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.021 to 8.063 |
| Refractive Index: | 1.49200 to 1.49700 @ 20.00 °C. |
| Boiling Point: | 67.00 to 68.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 1.171000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 127.00 °F. TCC ( 52.78 °C. ) |
| logP (o/w): | 2.628 (est) |
| Soluble in: | |
| alcohol | |
| heptane | |
| triacetin | |
| water, 1486 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Strength: | high , recommend smelling in a 0.10 % solution or less |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| Ethanethioic acid,S-(3-methyl-2-buten-1-yl) ester |
| BOC Sciences |
| For experimental / research use only. |
| 3-Methyl-2-buten-1-yl Thiolacetate |
| Parchem |
| S-prenyl thioacetate |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 3-Methyl-2-buten-1-yl Thiolacetate |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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 S-prenyl thioacetate 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: | 0.05000 | 0.10000 | |
| beverages(nonalcoholic): | 0.00100 | 0.01000 | |
| beverages(alcoholic): | 0.00500 | 0.05000 | |
| breakfast cereal: | 0.01000 | 0.05000 | |
| cheese: | - | - | |
| chewing gum: | 0.05000 | 0.10000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.01000 | 0.05000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 0.00100 | 0.01000 | |
| jams / jellies: | - | - | |
| meat products: | 0.01000 | 0.05000 | |
| milk products: | 0.00500 | 0.05000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| 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 ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 3084571 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| S-(3-methylbut-2-enyl) ethanethioate | |
| Chemidplus: | 0033049933 |
References:
| S-(3-methylbut-2-enyl) ethanethioate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 3084571 |
| Pubchem (sid): | 135232579 |
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): | HMDB31698 |
| FooDB: | FDB008361 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | Prenyl thioacetate |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| buchu leaf oil Search Trop Picture |
Synonyms:
| ethanethioic acid, S-(3-methyl-2-buten-1-yl) ester | |
| 3- | methyl-2-buten-1-yl thiolacetate |
| 3- | methyl-2-butenyl acetothioate |
| S-3- | methyl-2-butenyl ethane thioate |
| S-3- | methyl-2-butenyl ethanethioate |
| S-(3- | methyl-2-butenyl) acetothioate |
| S-(3- | methylbut-2-en-1-yl) ethanethioate |
| S-(3- | methylbut-2-enyl) ethanethioate |
| prenyl thioacetate |