Articles:
| None found yet. Try the PubMed Search. |
benzyl 3-oxobutyrate
Notes:
Flavouring ingredient
-
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): 5396-89-4 Benzyl Acetoacetate
-
-
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): 02-17800 BENZYL ACETOACETATE
-
-
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): W2226 BENZYL ACETOACETATE
-
-
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): A1080 Benzyl Acetoacetate >95.0%(GC)
-
| CAS Number: | 5396-89-4 |  3D/inchi
|
| Other(deleted CASRN): | 1629358-35-5 | |
| ECHA EINECS - REACH Pre-Reg: | 226-416-4 | |
| FDA UNII: | F9S0XGV18X | |
| Nikkaji Web: | J103.932F | |
| Beilstein Number: | 2049615 | |
| MDL: | MFCD00008785 | |
| CoE Number: | 244 | |
| XlogP3: | 1.80 (est) | |
| Molecular Weight: | 192.21424000 | |
| Formula: | C11 H12 O3 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and fragrance 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: | 848 benzyl acetoacetate |
| DG SANTE Food Flavourings: | 09.406 benzyl 3-oxobutyrate |
| FEMA Number: | 2136 benzyl acetoacetate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 5396-89-4 ; BENZYL ACETOACETATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | colorless clear oily liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.10900 to 1.11600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.228 to 9.286 |
| Refractive Index: | 1.50900 to 1.51500 @ 20.00 °C. |
| Melting Point: | 162.00 to 164.00 °C. @ 16.00 mm Hg |
| Boiling Point: | 156.00 to 159.00 °C. @ 10.00 mm Hg |
| Boiling Point: | 249.00 °C. @ 760.00 mm Hg |
| Acid Value: | 3.00 max. KOH/g |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w): | 1.599 (est) |
| Soluble in: | |
| alcohol | |
| water, 6531 mg/L @ 25 °C (est) | |
| Similar Items: note | |
| amyl acetoacetate | |
| isoamyl acetoacetate | |
| para-anisyl acetoacetate | |
| bergamot acetoacetate | |
| butyl acetoacetate | |
| isobutyl acetoacetate | |
| cinnamyl acetoacetate | |
| cyclohexyl acetoacetate | |
| dodecyl acetoacetate | |
| ethyl 2-ethyl acetoacetate | |
| ethyl acetoacetate | |
| geranyl acetoacetate | |
| heptyl acetoacetate | |
| (Z)-3-hexen-1-yl acetoacetate | |
| hexyl acetoacetate | |
| jasmin acetoacetate | |
| laevo-menthyl acetoacetate | |
| methyl acetoacetate | |
| spicy acetoacetate | |
Organoleptic Properties:
| Odor Type: floral | |
| Odor Strength: | medium |
| Substantivity: | 24 hour(s) at 100.00 % |
| sweet fruity banana floral fruity | |
| Odor Description: at 100.00 %. | sweet benzyl propionate and acetate floral fruity |
| Taste Description: | floral |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Benzyl Acetoacetate |
| EMD Millipore |
| For experimental / research use only. |
| Benzyl Acetoacetate |
| Inoue Perfumery |
| BENZYL ACETOACETATE |
| Kingchem Laboratories |
| BENZYL ACETOACETATE |
| Nagar Haveli Perfumes & Aromatics |
| Benzyl Acetoacetate
Odor: Sweet benzyl propionate and acetate floral fruity |
| Parchem |
| benzyl acetoacetate |
| Penta International |
| BENZYL ACETOACETATE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Benzyl Acetoacetate |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Benzyl acetoacetate ≥96% (GC)
produced by Wacker |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Benzyl acetoacetate 97% |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Benzyl acetoacetate Lonza quality, ≥96.0% (GC) |
| Synerzine |
| BENZYL ACETOACETATE |
| TCI AMERICA |
| For experimental / research use only. |
| Benzyl Acetoacetate >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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for benzyl acetoacetate usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.24 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.07 (μg/capita/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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 13.00000 | |
| beverages(nonalcoholic): | - | 2.70000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 50.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 6.00000 | |
| fruit ices: | - | 6.00000 | |
| gelatins / puddings: | - | 10.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 13.00000 | |
| 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:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of benzyl derivatives used as flavor ingredients. View pdf | |
| 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 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23 View page or View pdf | |
| Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf | |
| Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23 View page or View pdf | |
| Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 5396-89-4 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 142266 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 1 |
| benzyl 3-oxobutanoate | |
| Chemidplus: | 0005396894 |
References:
| benzyl 3-oxobutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 5396-89-4 |
| Pubchem (cid): | 142266 |
| Pubchem (sid): | 135263334 |
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): | HMDB40446 |
| FooDB: | FDB020198 |
| Export Tariff Code: | 2915.39.9050 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
| litchi chinesis Search Trop Picture |
Synonyms:
| acetoacetic acid benzyl ester | |
| acetoacetic acid, benzyl ester | |
| benzyl 3-oxobutanoate | |
| benzyl 3-oxobutyrate | |
| benzyl acetyl acetate | |
| benzyl acetylacetate | |
| benzyl beta-ketobutyrate | |
| 3-oxo- | butanoic acid phenyl methyl ester |
| butanoic acid, 3-oxo-, phenylmethyl ester | |
| 3-oxo- | butyric acid benzyl ester |
| phenyl methyl 3-oxobutanoate | |
| phenylmethyl 3-oxobutanoate |