Articles:
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4beta,5alpha-eremophil-11-en-2-one
Notes:
Used as a food additive [EAFUS]
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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): 20489-53-6 2(1H)-Naphthalenone, octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R,8aS)-
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FRUTAROM USA INC, Flavor & Specialty Ingredients Your preferred partner for flavour and fragrance success. Our broad and diverse product portfolio is designed to provide and cater for every flavor and taste profile required by our customer base and incorporates historic, and iconic, market leading products. Email: Info US Email: Info- USA Email: Sales Voice: +44 (0) 1429 863 222 CBD Offering Products List: View Product(s): 2311187710 DIHYDRONOOTKATONE KOSHER
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Lluch Essence S.L. A family company dedicated to sales and distribution Flexibility, availability, price and quality. Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world. Email: Info Voice: 34 93 379 38 49 Fax: 34 93 370 65 04 Linkedin Product(s): DIHYDRONOOTKATONE
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O'Laughlin Industries Inc. Manufacturer of chemicals and ingredients used in flavors, fragrances, food, beverages and cosmetics Leading the Flavor and Fragrance Industry since 1980. O'Laughlin was established in 1980 by its owner and chief executive Michael O'Laughlin, when he moved to Beijing, China and established a small office. Since then it has grown to be a world class producer of chemicals, with significant production facilities in China, and distribution and sales in all major world markets. Email: Sales US Email: John Gick Voice: (852) 2527-1031 Fax: (852) 2529-0231 US Voice: (973) 376-4600 US Fax: (973) 376-4630 Product(s): 772-3113 DIHYRONOOTKATONE
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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): 04-20500 DIHYDRONOOTKATONE
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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): W0398 Dihydronootkatone
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Taytonn ASCC Pte Ltd Supplying Asia Pacific We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service. Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers. Email: Info Email: Sales Voice: + 65 - 6861 8113 Fax: + 65 - 6861 8115 Linkedin Product(s): Dihydronootkatone
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| CAS Number: | 20489-53-6 |  3D/inchi
|
| FDA UNII: | V06626C1NF | |
| XlogP3-AA: | 4.30 (est) | |
| Molecular Weight: | 220.35548000 | |
| Formula: | C15 H24 O | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| EFSA/JECFA Comments: | CASrn in Register refers to (4R,4aS,6R,8aS)-stereoisomer. Register name to be changed accordingly. According to JECFA "Min. assay value is (90 %) and secondary components (5-6% nootkatone)". | |
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: | 1407 dihydronootkatone |
| DG SANTE Food Flavourings: | 07.153 (4R,4aS,6R,8aS)-1,10-dihydronootkatone |
| FEMA Number: | 3776 dihydronootkatone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 20489-53-6 ; DIHYDRONOOTKATONE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 90.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.97500 to 0.98800 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.122 to 8.231 |
| Specific Gravity: | 0.97500 to 0.98800 @ 25.00 °C. |
| Pounds per Gallon - est.: | 8.113 to 8.221 |
| Refractive Index: | 1.50200 to 1.50800 @ 20.00 °C. |
| Boiling Point: | 298.00 to 299.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 100.00 to 104.00 °C. @ 0.07 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 4.346 (est) |
| Soluble in: | |
| alcohol | |
| water, 3.456 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: citrus | |
| citrus peel grapefruit | |
| Odor Description: at 100.00 %. | citrus fruit grapefruit |
| Odor and/or flavor descriptions from others (if found). | |
| Lluch Essence | |
| DIHYDRONOOTKATONE | |
| Odor Description: | FRUITY, CITRIC |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 2(1H)-Naphthalenone, octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R,8aS)- |
| Frutarom |
| DIHYDRONOOTKATONE
KOSHER |
| CBD Offering |
| IFF |
| DIHYDRONOOTKATONE
KOSHER |
| Lluch Essence |
| DIHYDRONOOTKATONE
Odor: FRUITY, CITRIC |
| O'Laughlin Industries |
| DIHYRONOOTKATONE |
| Penta International |
| DIHYDRONOOTKATONE |
| Synerzine |
| Dihydronootkatone |
| Taytonn ASCC |
| Dihydronootkatone |
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. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 > 5 ml/kg (Sedlacek, 1985) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for dihydronootkatone usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.24 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.90 (μg/capita/day) | ||
| Threshold of Concern: | 540 (μg/person/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: 16 | |||
| Click here to view publication 16 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 1.50000 | 4.00000 | |
| beverages(nonalcoholic): | 0.20000 | 0.30000 | |
| beverages(alcoholic): | 0.50000 | 1.50000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 5.00000 | 10.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 0.50000 | 1.50000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.70000 | 2.00000 | |
| fruit ices: | 0.60000 | 1.80000 | |
| gelatins / puddings: | 1.00000 | 3.00000 | |
| granulated sugar: | 0.50000 | 1.50000 | |
| gravies: | - | - | |
| hard candy: | 1.00000 | 3.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 0.20000 | 0.50000 | |
| jams / jellies: | 0.80000 | 2.50000 | |
| meat products: | - | - | |
| milk products: | 0.50000 | 1.50000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 1.00000 | 3.00000 | |
| snack foods: | - | - | |
| soft candy: | 1.00000 | 3.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of alicyclic substances 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): | |
| Flavouring Group Evaluation 47, (FGE.47)[1] - Bicyclic secondary alcohols, ketones and related esters from chemical group 8 - 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 87, (FGE.87)[1] - Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47 (2008) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 87 Revision 1 (FGE.87Rev1): Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47 (2008) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 87, Revision 2 (FGE.87Rev2): Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47Rev1 (2008) 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 : | 6427078 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (4R,4aS,6R,8aS)-6-isopropenyl-4,4a-dimethyl-decalin-2-one | |
| Chemidplus: | 0020489536 |
References:
| (4R,4aS,6R,8aS)-6-isopropenyl-4,4a-dimethyl-decalin-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6427078 |
| Pubchem (sid): | 135304054 |
| 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): | HMDB32220 |
| FooDB: | FDB009290 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| citrus | FL | |
| fruit tropical fruit | FL | |
| ginger root oil replacer | FR | |
| grapefruit | FL |
Occurrence (nature, food, other): note
| banana fruit Search Trop Picture | |
| grapefruit juice Search Trop Picture |
Synonyms:
| (4R,4aS,6R,8aS)-1,10- | dihydronootkatone |
| 1,10- | dihydronootkatone |
| (4R,4aS,6R,8aS)-4,4a- | dimethyl-6-(prop-1-en-2-yl)octahydronaphthalen-2(1H)-one |
| (4R,4aS,6R,8aS)-4,4a- | dimethyl-6-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one |
| 4beta,5alpha- | eremophil-11-en-2-one |
| 2(1H)- | naphthalenone, octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R,8aS)- |
| (4R-(4alpha, 4aalpha,6beta,8abeta))- | octahydro-4,4a-dimethyl-6-(1-methyl ethenyl)-2(1H)-naphthalenone |
| (4R,4aS,6R,8aS)-6-iso | propenyl-4,4a-dimethyl-decalin-2-one |