Articles:
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hexanoic acid, 3-oxo-, ethyl ester
Notes:
Flavouring agent
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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): 3249-68-1 Ethyl 3-oxohexanoate
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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): 05-58800 ETHYL-3-OXOHEXANOATE
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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): W368318 Ethyl 3-oxohexanoate, ≥98% SDS
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Synerzine, Inc. Innovation. Customization. Aroma Ingredients. Synerzine is a leading supplier of flavor and fragrance ingredients. Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust. Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster. US Email: Customer Service US Email: Sales US Voice: (404) 524-6744 US Fax: (404) 577-1651 Inquiry Products List: View Product(s): W0562 Ethyl 3-oxohexanoate
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): K0030 Ethyl 3-oxohexanoate >95.0%(GC)
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| CAS Number: | 3249-68-1 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 221-835-9 | |
| FDA UNII: | 8Q1AHG710E | |
| Nikkaji Web: | J100.919B | |
| Beilstein Number: | 0507689 | |
| MDL: | MFCD00009401 | |
| XlogP3: | 1.10 (est) | |
| Molecular Weight: | 158.19718000 | |
| Formula: | C8 H14 O3 | |
| NMR Predictor: | Predict (works with chrome 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: | 602 ethyl 3-oxohexanoate |
| DG SANTE Food Flavourings: | 09.542 ethyl 3-oxohexanoate |
| FEMA Number: | 3683 ethyl 3-oxohexanoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 3249-68-1 ; ETHYL 3-OXOHEXANOATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 96.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.97400 to 0.98000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.105 to 8.155 |
| Refractive Index: | 1.41700 to 1.42700 @ 20.00 °C. |
| Boiling Point: | 104.00 °C. @ 22.00 mm Hg |
| Boiling Point: | 90.00 °C. @ 10.00 mm Hg |
| Vapor Pressure: | 0.243000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 173.00 °F. TCC ( 78.33 °C. ) |
| logP (o/w): | 1.386 (est) |
| Soluble in: | |
| alcohol | |
| fats | |
| water, slightly | |
| water, 1.508e+004 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: green | |
| sweet green sweaty fruity berry | |
| Odor Description: at 100.00 %. | sweet green sweaty fruity berry |
| sweet green sweaty fruity | |
| Odor Description: | Sweet, green, sweaty with fruity notes Mosciano, Gerard P&F 15, No. 1, 19, (1990) |
| Flavor Type: fruity | |
| fruity pineapple green sweet licorice vanilla | |
| Taste Description: at 50.00 ppm. | Fruity, pineapple, green with sweet licorice and vanilla notes Mosciano, Gerard P&F 15, No. 1, 19, (1990) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Ethyl 3-oxohexanoate |
| EMD Millipore |
| For experimental / research use only. |
| Ethyl 3-oxohexanoate |
| Inoue Perfumery |
| ETHYL 3-OXOHEXANOATE |
| Penta International |
| ETHYL-3-OXOHEXANOATE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Ethyl 3-oxohexanoate |
| Sigma-Aldrich |
| Ethyl 3-oxohexanoate, ≥98%
Odor: berry; green; mossy |
| Certified Food Grade Products |
| Synerzine |
| Ethyl 3-oxohexanoate |
| TCI AMERICA |
| For experimental / research use only. |
| Ethyl 3-oxohexanoate >95.0%(GC) |
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: | |
|
oral-rat LD50 > 300 mg/kg United States Patent Document. Vol. #5217973 oral-mouse LD50 8000 mg/kg (Pellmont, 1973a) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for ethyl 3-oxohexanoate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.024 (μg/capita/day) | ||
| 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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 5.00000 | |
| beverages(nonalcoholic): | - | 1.50000 | |
| beverages(alcoholic): | - | 3.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 3.00000 | |
| egg products: | - | - | |
| fats / oils: | - | 2.50000 | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | 2.50000 | |
| gelatins / puddings: | - | 3.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 7.50000 | |
| 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:
| 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): | |
| Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 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 : | 238498 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| ethyl 3-oxohexanoate | |
| Chemidplus: | 0003249681 |
| RTECS: | MO8420500 for cas# 3249-68-1 |
References:
| ethyl 3-oxohexanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3249-68-1 |
| Pubchem (cid): | 238498 |
| Pubchem (sid): | 135263341 |
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 |
| CHEBI: | View |
| KEGG (GenomeNet): | C02975 |
| HMDB (The Human Metabolome Database): | HMDB31307 |
| FooDB: | FDB003363 |
| Export Tariff Code: | 2918.30.9000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | Ethyl 3-oxohexanoate |
Potential Blenders and core components note
Potential Uses:
| apple green apple | FL | |
| cake | FL | |
| fruit punch | FL | |
| orange | FL | |
| pineapple | FL |
Occurrence (nature, food, other): note
| tamarillo fruit Search Trop Picture |
Synonyms:
| butyrylacetic acid ethyl ester | |
| ethyl 3-oxocaproate | |
| ethyl a-butyrylacetate | |
| ethyl alpha-butyryl acetate | |
| ethyl beta-ketohexanoate | |
| ethyl butanoylacetate | |
| ethyl butyroacetate | |
| ethyl butyryl acetate | |
| ethyl butyrylacetate | |
| ethyl-3-oxohexanoate | |
| green butyroacetate | |
| 3-keto-n- | hexanoic acid ethyl ester |
| 3-oxo- | hexanoic acid ethyl ester |
| hexanoic acid, 3-oxo-, ethyl ester |