The Good Scents Company - Aromatic/Hydrocarbon/Inorganic Ingredients Catalog information
| CAS Number: | 74758-91-1 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 277-988-7 | |
| FDA UNII: | 2VJ58GF47Z | |
| Nikkaji Web: | J349.457H | |
| CoE Number: | 12199 | |
| XlogP3-AA: | 2.80 (est) | |
| Molecular Weight: | 176.27892000 | |
| Formula: | C8 H16 O2 S | |
| NMR Predictor: | Predict (works with chrome, Edge 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: | 479 methylthiomethyl hexanoate |
| DG SANTE Food Flavourings: | 12.188 methylthiomethyl hexanoate |
| FEMA Number: | 3880 methylthiomethyl hexanoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 74758-91-1 ; METHYLTHIOMETHYL HEXANOATE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 97.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.89000 to 0.89500 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.406 to 7.447 |
| Boiling Point: | 223.00 to 224.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.094000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 191.00 °F. TCC ( 88.33 °C. ) |
| logP (o/w): | 2.674 (est) |
| Soluble in: | |
| alcohol | |
| oil | |
| water, very slightly | |
| water, 488.3 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water |
Organoleptic Properties:
| Odor Type: fruity |
| Odor Description:Use adds a creamy cheesy note to dairy flavors at 0.5ppm.pineapple |
| Flavor Type: fruity |
| pineapple fruity tropical creamy |
| Taste Description: pineapple fruity |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
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 (methyl thio) methyl hexanoate 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: | 1.00000 | 10.00000 |
| 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: | 1.00000 | 2.00000 |
| hard candy: | - | - |
| imitation dairy: | - | - |
| instant coffee / tea: | - | - |
| jams / jellies: | - | - |
| meat products: | 1.00000 | 10.00000 |
| milk products: | - | - |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | 0.50000 | 5.00000 |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | 300.00000 | 300.00000 |
| snack foods: | - | - |
| soft candy: | - | - |
| soups: | 1.00000 | 10.00000 |
| 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):74758-91-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :173312 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| methylsulfanylmethyl hexanoate |
| Chemidplus:0074758911 |
References:
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): | HMDB38300 |
| FooDB: | FDB017629 |
| ChemSpider: | View |
| FAO: | Methylthiomethyl hexanoate |
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other):note
Synonyms:
| hexanoic acid (methyl thio) methyl ester | |
| hexanoic acid, (methylthio)methyl ester | |
| (( | methyl thio)methyl) hexanoate |
| methyl thiomethyl hexanoate | |
| ( | methyl thiomethyl) hexanoate |
| ( | methylsulfanyl)methyl hexanoate |
| methylsulfanylmethyl hexanoate | |
| ( | methylthio)methyl hexanoate |
| (( | methylthio)methyl)hexanoate |
| ( | methylthio)methylhexanoate |
| methylthiomethyl hexanoate | |
| ( | methylthiomethyl)hexanoate |