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1-methyl-2,3-cyclohexadione
Notes:
Constit. of coffee. Flavouring 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): 3008-43-3 3-Methylcyclohexane-1,2-dione
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Endeavour Specialty Chemicals Ltd Expertise in high impact aroma chemicals Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale. Speciality Chemical has more than 25 years experience of manufacturing high-impact aroma chemicals. With our core expertise in sulfur and heterocyclic chemistries, Endeavours products have applications in a range of industry sectors including flavours and fragrances, pharmaceutical research and material sciences. Endeavour also offer custom synthesis and contract manufacturing services at their UK manufacturing site. Email: Info Email: Sales Voice: +44 (0)1327 310 079 Fax: +44 (0)1327 310 701 Twitter Linkedin News Speciality Chemical Product Groups Product(s): DN0020 3-Methylcyclohexane-1,2-dione 98% F&F
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Jiangyin Healthway International Trade Co., Ltd Independent Ingredients Supplier We provide custom synthesis and contract manufacturing from milligrams to metric tonnes. Jiangyin Healthway International Trade Co., Ltd is a professional company, main engaged in manufacturing and exporting aroma chemicals ,food additives , cosmetic ingredient ,pharmaceutical intermediates & other fine chemicals; especially on aroma chemicals , as the major manufacturer of heterocyclic and sulphur aroma compounds , we are the leading independent ingredients supplier to the flavour and fragrance industries in China, can offer hundreds of different high quality aroma chemicals. Email: Info Email: Sales Voice: 86-510-86023169 Fax: 86-510-86023170 Mobile 0086-13093133011 Services Biochemical Natural Food Colour New functional food ingredients Product(s): HLO273 3-Methyl-2,3-cyclohexadione
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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): 13-36700 3-METHYL-1,2-CYCLOHEXADIONE
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Robinson Brothers Limited Providing Excellence in Chemistry Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Based in the UK, Robinson Brothers is an award-winning chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Robinson Brothers serve many industry sectors across the globe, include: flavour/fragrance, pharmaceutical, agrochemical and material sciences. Our team of Chemists are experts in custom synthesis, contract manufacture and process optimisation. Email: Info Email: Sales Voice: +44 (0)121 553 2451 Fax: +44 (0)121 500 5183 Twitter Linkedin News And Exhibitions Custom Synthesis Industries And Applications https://www.robinsonbrothers.uk/chemistry-competences Products List: View Product(s): DN0020 3-Methylcyclohexane-1,2-dione F&F
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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): W330507 3-Methyl-1,2-cyclohexanedione, ≥98%, FG 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): W0141 1-Methyl-2,3-cyclohexadione
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R C Treatt and Co Ltd Innovative ingredient solutions World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries. We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products. Email: Enquiries US Email: Enquiries Voice: +44 (0) 1284 702500 Fax: +44 (0) 1284 703809 US Voice: +1 863 668 9500 US Fax: +1 863 668 3388 Twitter Linkedin Youtube News Product(s): 3-Methylcyclohexane-1,2-dione Halal, Kosher
Used in flavours for seasonings at 5ppm, beverages at 1ppm, and in cereals and bakery at 0.1ppm.
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| CAS Number: | 3008-43-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 221-122-2 | |
| FDA UNII: | 2GKY1ALK5L | |
| Nikkaji Web: | J205.304G | |
| MDL: | MFCD00209518 | |
| CoE Number: | 2311 | |
| XlogP3-AA: | 0.50 (est) | |
| Molecular Weight: | 126.15510000 | |
| Formula: | C7 H10 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 3008-43-3 (R) |  3D/inchi
|
| XlogP3-AA: | 0.50 (est) | |
| Molecular Weight: | 126.15510000 | |
| Formula: | C7 H10 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 3008-43-3 (S) |  3D/inchi
|
| XlogP3-AA: | 0.50 (est) | |
| Molecular Weight: | 126.15510000 | |
| Formula: | C7 H10 O2 | |
| 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: | 425 1-methyl-2,3-cyclohexadione |
| DG SANTE Food Flavourings: | 07.080 3-methylcyclohexane-1,2-dione |
| FEMA Number: | 3305 1-methyl-2,3-cyclohexadione |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 3008-43-3 ; 1-METHYL-2,3-CYCLOHEXADIONE |
Physical Properties:
| Appearance: | white to pale yellow solid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 57.00 to 63.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 69.00 to 72.00 °C. @ 1.00 mm Hg |
| Vapor Pressure: | 0.321000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 0.787 (est) |
| Soluble in: | |
| alcohol | |
| water, 1.048e+005 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: caramellic | |
| coffee sugar burnt sugar | |
| Odor Description: at 1.00 % in dipropylene glycol. | coffee burnt sugar |
| Flavor Type: coffee | |
| coffee caramellic | |
| Taste Description: | coffee caramellic |
| 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. |
| 3-Methylcyclohexane-1,2-dione |
| Endeavour Specialty Chemicals |
| 3-Methylcyclohexane-1,2-dione 98% F&F |
| Speciality Chemical Product Groups |
| Jiangyin Healthway |
| 3-Methyl-2,3-cyclohexadione |
| New functional food ingredients |
| Penta International |
| 3-METHYL-1,2-CYCLOHEXADIONE |
| R C Treatt & Co Ltd |
| 3-Methylcyclohexane-1,2-dione
Halal, Kosher Odor: candy/malt/maple, with a phenolic/smokey note Flavor: caramellic Used in flavours for seasonings at 5ppm, beverages at 1ppm, and in cereals and bakery at 0.1ppm. |
| Robinson Brothers |
| 3-Methylcyclohexane-1,2-dione F&F |
| https://www.robinsonbrothers.uk/chemistry-competences |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 3-Methylcyclohexane-1,2-dione |
| Sigma-Aldrich |
| 3-Methyl-1,2-cyclohexanedione, ≥98%, FG |
| Certified Food Grade Products |
| Synerzine |
| 1-Methyl-2,3-cyclohexadione |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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 coffee dione usage levels up to: | |||
| 0.2000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.30 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 8.00 (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: 5 | |||
| Click here to view publication 5 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 6.00000 | |
| beverages(nonalcoholic): | - | 0.60000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 0.20000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 9.00000 | |
| 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): | |
| Flavouring Group Evaluation 213: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 213, Revision 2 (FGE.213Rev2): Consideration of genotoxic potential for a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 3008-43-3 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 3321360 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 3-methylcyclohexane-1,2-dione | |
| Chemidplus: | 0003008433 |
| (3R)-3-methylcyclohexane-1,2-dione | |
| (3S)-3-methylcyclohexane-1,2-dione | |
References:
| 3-methylcyclohexane-1,2-dione | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3008-43-3 |
| Pubchem (cid): | 3321360 |
| Pubchem (sid): | 135263215 |
| (3R)-3-methylcyclohexane-1,2-dione | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3008-43-3 |
| Pubchem (cid): | 7567908 |
| Pubchem (sid): | 40045635 |
| (3S)-3-methylcyclohexane-1,2-dione | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3008-43-3 |
| Pubchem (cid): | 7019252 |
| Pubchem (sid): | 43615742 |
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): | HMDB34080 |
| FooDB: | FDB012339 |
| Export Tariff Code: | 2914.29.0090 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| allspice | FR | |
| bakery | FL | |
| banana | FR | |
| bay rum | FR | |
| blackberry | FR | |
| butterscotch | FR | |
| caramel | FL | |
| cereal | FL | |
| cinnamon | FR | |
| coconut | FR | |
| coffee | FR | |
| cotton candy | FR | |
| cranberry | FR | |
| fenugreek | FL/FR | |
| fig | FR | |
| fir | ||
| fir balsam | FR | |
| fruit | FR | |
| gingerbread | FR | |
| honeysuckle | FR | |
| licorice | FR | |
| malt | FR | |
| mango | FR | |
| maple | FR | |
| melon | FR | |
| mulberry | FR | |
| musk | FR | |
| nut | FL | |
| papaya | FR | |
| passion fruit | FR | |
| peach | FR | |
| pina colada | FR | |
| pineapple | FR | |
| pomegranate | FR | |
| pumpkin pie | FR | |
| sugar brown sugar | FL | |
| tobacco | FR | |
| toffee | FR | |
| tonka bean | FR | |
| vanilla | FR | |
| whiskey | FL |
Occurrence (nature, food, other): note
| coffee Search PMC Picture |
Synonyms:
| coffee dione | |
| homo | corylone (Givaudan) |
| 1,2- | cyclohexanedione, 3-methyl- |
| methyl cyclohexane dione | |
| 3- | methyl cyclohexane-1,2-dione |
| 3- | methyl-1,2-cyclohexane dione |
| 3- | methyl-1,2-cyclohexanedione |
| 1- | methyl-2,3-cyclohexadione |
| 3- | methyl-cyclohexane-1,2-dione |
| 3- | methylcyclohexane-1,2-dione |