Articles:
3-(methylthio)propyl hexanoate
Notes:
None found
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 13-71850 3-(METHYLTHIO)PROPYL HEXANOATE
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R C Treatt and Co Ltd Innovative ingredient solutions World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries. We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products. Email: Enquiries US Email: Enquiries Voice: +44 (0) 1284 702500 Fax: +44 (0) 1284 703809 US Voice: +1 863 668 9500 US Fax: +1 863 668 3388 Twitter Linkedin Youtube News Product(s): Methionyl hexanoate Kosher
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| CAS Number: | 906079-63-8 |  3D/inchi
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| FDA UNII: | WTB5202V59 | |
| XlogP3-AA: | 3.00 (est) | |
| Molecular Weight: | 204.33280000 | |
| Formula: | C10 H20 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: | 1941 3-(methylthio)propyl hexanoate |
| DG SANTE Food Flavourings: | 12.299 3-(methylthio)propyl hexanoate |
| FEMA Number: | 4436 3-(methylthio)propyl hexanoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 906079-63-8 ; 3-(METHYLTHIO)PROPYL HEXANOATE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.91500 to 0.99800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.614 to 8.304 |
| Refractive Index: | 1.44800 to 1.46800 @ 20.00 °C. |
| Boiling Point: | 271.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.004000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 246.00 °F. TCC ( 119.20 °C. ) (est) |
| logP (o/w): | 3.425 (est) |
| Soluble in: | |
| alcohol | |
| water, 51.27 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Description: | onion fruity |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Carbosynth |
| For experimental / research use only. |
| Methionyl Hexanoate |
| Penta International |
| 3-(METHYLTHIO)PROPYL HEXANOATE |
| R C Treatt & Co Ltd |
| Methionyl hexanoate
Kosher |
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 methionyl hexanoate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.061 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1100 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/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: 24 | |||
| Click here to view publication 24 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 1.00000 | 5.00000 | |
| beverages(nonalcoholic): | 1.00000 | 5.00000 | |
| beverages(alcoholic): | 2.00000 | 10.00000 | |
| breakfast cereal: | 1.00000 | 5.00000 | |
| cheese: | 1.00000 | 10.00000 | |
| chewing gum: | 5.00000 | 20.00000 | |
| condiments / relishes: | 1.00000 | 10.00000 | |
| confectionery froastings: | 1.00000 | 5.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 1.00000 | 5.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 1.00000 | 5.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 2.00000 | 5.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 1.00000 | 5.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | 1.00000 | 10.00000 | |
| reconstituted vegetables: | 1.00000 | 10.00000 | |
| seasonings / flavors: | 1.00000 | 100.00000 | |
| snack foods: | 2.00000 | 10.00000 | |
| soft candy: | 2.00000 | 5.00000 | |
| soups: | 1.00000 | 10.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 1.00000 | 5.00000 | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 2.00000 | 15.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - | |
| Edible ices, including sherbet and sorbet (03.0): | 1.00000 | 5.00000 | |
| Processed fruit (04.1): | 2.00000 | 20.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 2.00000 | 20.00000 | |
| Confectionery (05.0): | 9.00000 | 35.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 1.00000 | 5.00000 | |
| Bakery wares (07.0): | 3.00000 | 15.00000 | |
| Meat and meat products, including poultry and game (08.0): | 1.00000 | 5.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 3.00000 | 115.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 1.00000 | 5.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 2.00000 | 10.00000 | |
| Ready-to-eat savouries (15.0): | 1.00000 | 10.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | - | - | |
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): | |
| 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 | |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): 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 : | 46779102 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 3-(methylsulfanyl)propyl hexanoate | |
| Chemidplus: | 0906079638 |
References:
| 3-(methylsulfanyl)propyl hexanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 46779102 |
| Pubchem (sid): | 163642863 |
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): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | 3-(Methylthio)propyl hexanoate |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| passion fruit yellow Search Trop Picture |
Synonyms:
| hexanoic acid 3-(methyl thio) propyl ester | |
| hexanoic acid 3-(methylthio)propyl ester | |
| hexanoic acid, 3-(methylthio)propyl ester | |
| methionyl hexanoate, experimental | |
| 3-( | methyl sulfanyl) propyl hexanoate |
| 3-( | methyl thio) propyl hexanoate |
| 3-( | methylsulfanyl)propyl hexanoate |
| 3-( | methylthio)propyl hexanoate |