Articles:
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4-methylpentyl 4-methylvalerate
Notes:
None found
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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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Sigma-Aldrich Complete Supply Chain The perfect blend of products and services that bring your creativity to life. Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards. Email: Information US Email: Sales US Voice: 800-244-1173 US Fax: 800-368-4661 Facebook Twitter Instagram Linkedin Flavors and Fragrances Analysis FandF Newsletter Subscription Flavors and Fragrances Learning Center Certified Food Grade Products Product(s): W474900 4-Methylpentyl 4-methylvalerate, ≥95% SDS
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| CAS Number: | 35852-42-7 |  3D/inchi
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| FDA UNII: | CI3RHY3QTP | |
| Nikkaji Web: | J504.902D | |
| XlogP3-AA: | 3.80 (est) | |
| Molecular Weight: | 200.32168000 | |
| Formula: | C12 H24 O2 | |
| 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 |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| FEMA Number: | 4749 4-methylpentyl 4-methylvalerate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 222.02 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.104000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 197.00 °F. TCC ( 91.80 °C. ) (est) |
| logP (o/w): | 4.591 (est) |
| Soluble in: | |
| alcohol | |
| water, 4.696 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| fruity waxy soapy herbal | |
| Odor Description: at 10.00 % in dipropylene glycol. | fruity waxy soapy herbal |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Sigma-Aldrich |
| 4-Methylpentyl 4-methylvalerate, ≥95% |
| Certified Food Grade Products |
| 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 4-methyl pentyl 4-methyl valerate usage levels up to: | |||
| not for fragrance use. | |||
| 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: 26 | |||
| Click here to view publication 26 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 4.00000 | 30.00000 | |
| beverages(nonalcoholic): | 4.00000 | 30.00000 | |
| beverages(alcoholic): | 4.00000 | 30.00000 | |
| breakfast cereal: | 4.00000 | 30.00000 | |
| cheese: | 4.00000 | 30.00000 | |
| chewing gum: | 10.00000 | 80.00000 | |
| condiments / relishes: | 4.00000 | 30.00000 | |
| confectionery froastings: | 4.00000 | 30.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 4.00000 | 30.00000 | |
| fruit ices: | 4.00000 | 30.00000 | |
| gelatins / puddings: | 4.00000 | 30.00000 | |
| granulated sugar: | 4.00000 | 30.00000 | |
| gravies: | - | - | |
| hard candy: | 4.00000 | 30.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 4.00000 | 30.00000 | |
| jams / jellies: | 4.00000 | 30.00000 | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | 4.00000 | 30.00000 | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 4.00000 | 30.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 4.00000 | 30.00000 | |
| snack foods: | 4.00000 | 30.00000 | |
| soft candy: | 4.00000 | 30.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | 4.00000 | 30.00000 | |
Safety References:
| 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 : | 88168807 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 4-methylpentyl 4-methylpentanoate | |
| Chemidplus: | 0035852427 |
References:
| 4-methylpentyl 4-methylpentanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 88168807 |
| Pubchem (cas): | 35852-42-7 |
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 |
| HMDB (The Human Metabolome Database): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| capsicum pubescens Search Trop Picture | |
| chili amarillo chili Search Trop Picture |
Synonyms:
| 4- | methyl pentyl 4-methyl pentanoate |
| 4- | methylpentanoic acid, 4-methylpentyl ester |
| 4- | methylpentyl 4-methylpentanoate |
| 4- | methylpentyl 4-methylvalerate |
| pentanoic acid, 4-methyl-, 4-methylpentyl ester |