Articles:
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methyl 3-hydroxybutanoate
Notes:
Constit. of pineapple; Flavouring ingredient [CCD]
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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): 13-52000 METHYL-3-HYDROXYBUTYRATE
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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): W445000 Methyl 3-hydroxybutyrate, ≥95% SDS
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| CAS Number: | 1487-49-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 216-068-1 | |
| FDA UNII: | S36O46U3EA | |
| Nikkaji Web: | J40.571J | |
| MDL: | MFCD00129999 | |
| XlogP3-AA: | -0.20 (est) | |
| Molecular Weight: | 118.13230000 | |
| Formula: | C5 H10 O3 | |
| 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: | 1947 methyl 3-hydroxybutyrate |
| FEMA Number: | 4450 methyl 3-hydroxybutyrate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 1487-49-6 ; METHYL 3-HYDROXYBUTYRATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.05300 to 1.06100 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.772 to 8.839 |
| Refractive Index: | 1.41700 to 1.42500 @ 20.00 °C. |
| Boiling Point: | 158.00 to 160.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.768000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 161.00 °F. TCC ( 71.67 °C. ) |
| logP (o/w): | -0.412 (est) |
| Soluble in: | |
| alcohol | |
| water, 4.728e+005 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: apple | |
| fruity green apple winey | |
| Odor Description: at 100.00 %. | mild fruity green apple winey |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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 3-hydroxybutyrate 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: 24 | |||
| Click here to view publication 24 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 0.02000 | 1.00000 | |
| 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: | - | - | |
| hard candy: | 0.06000 | 1.00000 | |
| 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: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
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 : | 15146 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| methyl 3-hydroxybutanoate | |
| Chemidplus: | 0001487496 |
| RTECS: | ET4700000 for cas# 1487-49-6 |
References:
| methyl 3-hydroxybutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 15146 |
| Pubchem (sid): | 134981182 |
| Pherobase: | View |
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): | HMDB41603 |
| FooDB: | FDB021758 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | Methyl 3-hydroxybutyrate |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| cyphomandra betacea sendtn. Search Trop Picture | |
| pineapple fruit Search Trop Picture | |
| solanum vestissimum Search Trop Picture | |
| zygopetalum crinitum Search Trop Picture |
Synonyms:
| butanoic acid, 3-hydroxy-, methyl ester | |
| butanoic acid,3-hydroxy-, methyl ester | |
| butyric acid, 3-hydroxy-, methyl ester | |
| 3- | hydroxybutyric acid methyl ester |
| methyl 3-hydroxybutanoate | |
| methyl-3-hydroxybutyrate |