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4-methyl-2-oxopentanoic acid, sodium salt
Notes:
None found
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 4502-00-5 Sodium 4-methyl-2-oxovalerate
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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): W387101 4-Methyl-2-oxopentanoic acid sodium salt, 97% SDS
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| CAS Number: | 4502-00-5 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 224-816-3 | |
| FDA UNII: | 815X976CPY | |
| Nikkaji Web: | J205.882K | |
| Beilstein Number: | 4239297 | |
| MDL: | MFCD00064193 | |
| Molecular Weight: | 152.12509928 | |
| Formula: | C6 H9 O3 Na | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | JECFA evaluated 4-Methyl-2-oxopentanoic acid and its sodium salt (CASrn 816-66-0 and 4502-00-5). | |
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: | 633.1 4-methyl-2-oxopentanoic acid, sodium salt |
| FEMA Number: | 3871 4-methyl-2-oxopentanoic acid, sodium salt |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
Physical Properties:
| Appearance: | white solid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 275.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 190.00 to 191.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.239000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 182.00 °F. TCC ( 83.33 °C. ) |
| logP (o/w): | 0.170 (est) |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| water, 1.676e+005 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: buttery | |
| buttery | |
| Odor Description: at 100.00 %. | butyric valeric buttery Luebke, William tgsc, (2007) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Sodium 4-methyl-2-oxovalerate |
| Carbosynth |
| For experimental / research use only. |
| Sodium alpha-ketoisocaproate |
| Parchem |
| sodium 4-methyl-2-oxovalerate |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Sodium 4-methyl-2-oxovalerate ≥98% |
| Sigma-Aldrich |
| 4-Methyl-2-oxopentanoic acid sodium salt, 97% |
| Certified Food Grade Products |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
|
S 02 - Keep out of the reach of children. S 22 - Do not breath dust. S 24/25 - Avoid contact with skin and eyes. | |
| 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 sodium 4-methyl-2-oxovalerate 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: 18 | |||
| Click here to view publication 18 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 0.05000 | 5.00000 | |
| beverages(alcoholic): | 1.00000 | 5.00000 | |
| breakfast cereal: | - | - | |
| cheese: | 1.00000 | 10.00000 | |
| chewing gum: | 0.50000 | 5.00000 | |
| condiments / relishes: | 1.00000 | 5.00000 | |
| confectionery froastings: | 1.00000 | 5.00000 | |
| egg products: | - | - | |
| fats / oils: | 0.50000 | 5.00000 | |
| fish products: | - | - | |
| frozen dairy: | 0.50000 | 10.00000 | |
| fruit ices: | 1.00000 | 5.00000 | |
| gelatins / puddings: | 0.50000 | 5.00000 | |
| granulated sugar: | - | - | |
| gravies: | 1.00000 | 5.00000 | |
| hard candy: | 0.10000 | 5.00000 | |
| imitation dairy: | 0.50000 | 5.00000 | |
| instant coffee / tea: | 0.10000 | 1.00000 | |
| jams / jellies: | 1.00000 | 5.00000 | |
| meat products: | - | - | |
| milk products: | 1.00000 | 10.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 0.10000 | 1.00000 | |
| processed vegetables: | 0.10000 | 1.00000 | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 50.00000 | 100.00000 | |
| snack foods: | - | - | |
| soft candy: | 0.30000 | 3.00000 | |
| soups: | 1.00000 | 10.00000 | |
| sugar substitutes: | 0.50000 | 5.00000 | |
| sweet sauces: | 1.00000 | 10.00000 | |
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 : | 4137900 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| sodium 4-methyl-2-oxopentanoate | |
| Chemidplus: | 0004502005 |
References:
| sodium 4-methyl-2-oxopentanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 4137900 |
| Pubchem (sid): | 135036413 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2918.30.5000 |
| ChemSpider: | View |
| FAO: | 4-Methyl-2-oxopentanoic acid, sodium salt |
Potential Blenders and core components note
Potential Uses:
| butter | FL |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 2-ketoiso | caproic acid, sodium salt |
| 4- | methyl-2-oxo-pentanoate sodium salt |
| 4- | methyl-2-oxopentanoic acid sodium salt |
| 4- | methyl-2-oxopentanoic acid, sodium salt |
| 4- | methyl-2-oxovaleric acid sodium salt |
| oxo | pentanoate, 4-methyl-2-oxo-, sodium salt |
| pentanoic acid, 4-methyl-2-oxo-, sodium salt | |
| pentanoic acid, 4-methyl-2-oxo-, sodium salt (1:1) | |
| sodium 4-methyl-2-ketopentanoate | |
| sodium 4-methyl-2-oxopentanoate | |
| sodium alpha-ketoisocaproate | |
| sodiumketoisocaproate | |
| valeric acid, 4-methyl-2-oxo, sodium salt |