Articles:
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ethyl 4-(methylthio)butyrate
Notes:
Flavouring agent
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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: | 22014-48-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 244-720-5 | |
| FDA UNII: | W0F51T4V09 | |
| Nikkaji Web: | J225.515D | |
| XlogP3-AA: | 1.40 (est) | |
| Molecular Weight: | 162.25198000 | |
| Formula: | C7 H14 O2 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: | 477 ethyl 4-(methylthio)butyrate |
| DG SANTE Food Flavourings: | 12.084 ethyl 4-(methylthio)butyrate |
| FEMA Number: | 3681 ethyl 4-(methylthio)butyrate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 22014-48-8 ; ETHYL 4-(METHYLTHIO) BUTYRATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.99500 to 1.04600 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.289 to 8.714 |
| Refractive Index: | 1.45900 @ 23.00 °C. |
| Boiling Point: | 95.00 °C. @ 15.00 mm Hg |
| Vapor Pressure: | 0.108000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 195.00 °F. TCC ( 90.56 °C. ) |
| logP (o/w): | 1.734 (est) |
| Soluble in: | |
| fats | |
| water | |
| water, 1494 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Description: at 0.10 % in propylene glycol. | sulfury |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| Butanoic acid,4-(methylthio)-, ethyl ester |
| BOC Sciences |
| For experimental / research use only. |
| ethyl 4-(methylthio)butyrate |
| Parchem |
| ethyl 4-(methyl thio) butyrate |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
Safety Information:
| 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 ethyl 4-(methyl thio) butyrate 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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 0.20000 | |
| beverages(alcoholic): | - | 0.20000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 0.20000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 0.20000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 0.20000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.20000 | |
| 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: | - | 0.20000 | |
| 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 : | 5463935 |
| National Institute of Allergy and Infectious Diseases: | Data |
| ethyl 4-methylsulfanylbutanoate | |
| Chemidplus: | 0022014488 |
References:
| ethyl 4-methylsulfanylbutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 22014-48-8 |
| Pubchem (cid): | 5463935 |
| Pubchem (sid): | 135345297 |
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): | HMDB37620 |
| FooDB: | FDB016734 |
| Export Tariff Code: | 2915.60.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | Ethyl 4-(methylthio)butyrate |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| pineapple fruit Search Trop Picture | |
| potato chip Search PMC Picture |
Synonyms:
| butanoic acid, 4-(methylthio)-, ethyl ester | |
| butyric acid, 4-(methylthio)-, ethyl ester | |
| ethyl 4-(methyl thio) butanoate | |
| ethyl 4-(methylsulfanyl)butanoate | |
| ethyl 4-(methylthio) butyrate | |
| ethyl 4-(methylthio)butanoate | |
| ethyl 4-(methylthio)butyrate | |
| ethyl 4-methylsulfanylbutanoate | |
| 4-( | methyl thio) butanoic acid ethyl ester |
| 4-( | methyl thio) butyric acid ethyl ester |