Articles:
| US Patents: | 3,952,024 - Furfurylthioacetone |
| US Patents: | Certain 2,5-dimethyl-3-thiopyrazines |
5-methyl-2,3-hexanedione
Notes:
Constit. of coffee and American potato chips. Flavour ingredient
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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): 13706-86-0 Methylhexanedione
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CJ Latta & Associates, LLC Extensive Line Aromatic Chemicals and Organic Acids. CJ Latta & Associates is a distributor of specialty aromatics and organic acids used in the formulation of flavors and fragrance manufactured worldwide. We pride ourselves on our reputation for, fair pricing, quality and reliability. We’ve built our business on successfully sourcing and developing many challenging specialty chemicals and fine ingredients for our clients. Email: Info US Email: Chip Latta Email: Sales US Email: Chip Latta Voice: (630) 240-8079 Product(s): ACETYL ISO VALERYL
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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): 01-08300 ACETYL ISOVALERYL
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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): W0138 Acetyl Isovaleryl
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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): M0752 5-Methyl-2,3-hexanedione >94.0%(GC)
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Tianjin Danjun International Trade Co., LTD. Quality Products We know the Chinese chemical market well. Tianjin danjun international trade co., LTD. is an organic chemicals trading company approved by the relevant state authorities to register. We have about 300 kinds of products (natural aroma chemicals, synthetic aroma chemicals and pharmaceutical intermediates). Most of the products are used in flavor and fragrance industry. We know the Chinese chemical market well and we have close relationship with many of the main manufacturers, and to provide our customers with quality goods together with comprehensive service. Email: Info Email: Sales Voice: +86-15822601686 Products List: View Product(s): L-021 5-Methyl-2,3-hexanedione
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Vigon International Passion for Simplicity Manufacturer and supplier of high quality flavor and fragrance ingredients. The growth and success of Vigon is due in large part to a unique corporate concept that Vigon has developed and established within the industry: Creative Partnerships. This partnership concept has been and continues to be the foundation and guiding principle for all of Vigon's activities. US Email: Sales US Voice: 570-476-6300 US Fax: 570-476-1110 Facebook Twitter Linkedin Newsletter Blog Products List: View Product(s): 500856 Acetyl Isovaleryl (5-Methyl 2,3-Hexanedione)
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WholeChem, LLC Connecting Innovators To the Building Blocks Of the Universe Custom manufacturer and distributor of specialty ingredients. We make global local. SQF-Certified Supplier We owe our success to our integrity, our dedication to the industry, and our commitment to our clients. We invite your inquiries regarding our current product list and any other products you may be having trouble sourcing. Email: Info Email: Orders Voice: +1 (262) 995.8668 Certification Our Services Products List: View Product(s): Acetyl Isovaleryl
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| CAS Number: | 13706-86-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 237-241-8 | |
| FDA UNII: | ZI95KZ32L4 | |
| Nikkaji Web: | J64.762D | |
| Beilstein Number: | 1745751 | |
| MDL: | MFCD00059352 | |
| CoE Number: | 11148 | |
| XlogP3-AA: | 0.90 (est) | |
| Molecular Weight: | 128.17104000 | |
| Formula: | C7 H12 O2 | |
| 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: | 414 5-methyl-2,3-hexanedione |
| DG SANTE Food Flavourings: | 07.093 5-methylhexan-2,3-dione |
| FEMA Number: | 3190 5-methyl-2,3-hexanedione |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 13706-86-0 ; 5-METHYL-2,3-HEXANEDIONE |
Physical Properties:
| Appearance: | yellow clear liquid (est) |
| Assay: | 96.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.90600 to 0.91600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.539 to 7.622 |
| Refractive Index: | 1.40600 to 1.41600 @ 20.00 °C. |
| Boiling Point: | 138.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 6.866000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 107.00 °F. TCC ( 41.67 °C. ) |
| logP (o/w): | 0.060 |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| propylene glycol | |
| glycerine | |
| water, 8.252e+004 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| acetyl valeryl | |
Organoleptic Properties:
| Odor Type: fruity | |
| sweet sharp fruity creamy brown buttery | |
| Odor Description: at 1.00 % in propylene glycol. | sweet sharp fruity creamy brown butter |
| sweet sharp fruity creamy brown buttery | |
| Odor Description: | Sweet, sharp, fruity, creamy with a brown buttery nuance Mosciano, Gerard P&F 16, No. 6, 43, (1991) |
| Flavor Type: fruity | |
| fruity creamy pineapple | |
| Taste Description: at 50.00 ppm. | Fruity, creamy with a pineapple nuance Mosciano, Gerard P&F 16, No. 6, 43, (1991) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
not used anymore |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Methylhexanedione |
| CJ Latta & Associates |
| ACETYL ISO VALERYL |
| Parchem |
| acetyl isovaleryl |
| Penta International |
| ACETYL ISOVALERYL |
| Synerzine |
| Acetyl Isovaleryl |
| TCI AMERICA |
| For experimental / research use only. |
| 5-Methyl-2,3-hexanedione >94.0%(GC) |
| Tianjin Danjun International |
| 5-Methyl-2,3-hexanedione |
| Vigon International |
| Acetyl Isovaleryl (5-Methyl 2,3-Hexanedione)
Odor: POWERFUL, OILY, BUTTERY |
| WholeChem |
| Acetyl Isovaleryl |
Safety Information:
| 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. | |
| Human Experience: | |
| 0.1 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 637, 1982. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 637, 1982. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents | ||
| IFRA Critical Effect: | Dermal sensitization | ||
| IFRA: | View Standard | ||
| Recommendation for acetyl isovaleryl usage levels up to: | |||
| PROHIBITED: Should not be used as a fragrance ingredient. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.10 (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: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 20.00000 | |
| 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: | - | 20.00000 | |
| 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:
| 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) related to Flavouring Group Evaluation 11 (FGE.11): Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 11, Revision 1 (FGE.11Rev1) - Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 13706-86-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 26204 |
| National Institute of Allergy and Infectious Diseases: | Data |
| SCCNFP: | opinion |
| WISER: | UN 1224 |
| WGK Germany: | 2 |
| 5-methylhexane-2,3-dione | |
| Chemidplus: | 0013706860 |
| RTECS: | MO3200000 for cas# 13706-86-0 |
References:
| 5-methylhexane-2,3-dione | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 13706-86-0 |
| Pubchem (cid): | 26204 |
| Pubchem (sid): | 134991016 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31593 |
| FooDB: | FDB008223 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| banana | FL | |
| cheese | FL | |
| coffee | FL | |
| cream | FL | |
| pineapple | FL | |
| rum | FL |
Occurrence (nature, food, other): note
| coffee Search PMC Picture | |
| potato chip Search PMC Picture |
Synonyms:
| acetyl isopentanoyl | |
| acetyl isovalerianyl | |
| acetyl isovaleryl | |
| acetylisovalerianyl | |
| iso | butyl methyl diketone |
| iso | butyl methyl glyoxal |
| hexane-2,3-dione, 5-methyl- | |
| 2,3- | hexanedione, 5-methyl- |
| 2- | methyl hexa-4,5-dione |
| 5- | methyl hexan-2,3-dione |
| 5- | methyl hexane-2,3-dione |
| 5- | methyl-2,3-hexane dione |
| 5- | methyl-2,3-hexanedione |
| 2- | methyl-4,5-hexanedione |
| 2- | methylhexa-4,5-dione |
| 5- | methylhexan-2,3-dione |
| 5- | methylhexane-2,3-dione |