Articles:
| None found yet. Try the PubMed Search. |
2,2,6-trimethylcyclohexanone
Notes:
Blends well with amber and thujone notes.
-
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): 2408-37-9 2,6,6-Trimethylcyclohexanone
-
-
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): 20-79700 2,2,6-TRIMETHYLCYCLOHEXANONE
-
-
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): W218 2,2,6-Trimethylcyclohexanone
-
| CAS Number: | 2408-37-9 |  3D/inchi
|
| Other(deleted CASRN): | 62861-88-5 | |
| ECHA EINECS - REACH Pre-Reg: | 219-309-9 | |
| FDA UNII: | CQ3ZL1YW7R | |
| Beilstein Number: | 1905593 | |
| MDL: | MFCD00045550 | |
| CoE Number: | 686 | |
| XlogP3-AA: | 2.40 (est) | |
| Molecular Weight: | 140.22572000 | |
| Formula: | C9 H16 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | (R)-cistus cyclohexanone | |
| (S)-cistus cyclohexanone | ||
| EFSA/JECFA Comments: | Stereoisomeric composition to be specified. Racemate (EFFA, 2010a). | |
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: | 1108 2,2,6-trimethylcyclohexanone |
| DG SANTE Food Flavourings: | 07.045 2,2,6-trimethylcyclohexanone |
| FEMA Number: | 3473 2,2,6-trimethylcyclohexanone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 2408-37-9 ; 2,2,6-TRIMETHYLCYCLOHEXANONE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 99.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.90000 to 0.90700 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.489 to 7.547 |
| Refractive Index: | 1.44300 to 1.44900 @ 20.00 °C. |
| Melting Point: | -31.80 °C. @ 760.00 mm Hg |
| Boiling Point: | 178.00 to 179.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.986000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 125.00 °F. TCC ( 51.67 °C. ) |
| logP (o/w): | 2.410 |
| Soluble in: | |
| alcohol | |
| water, 724.3 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: thujonic | |
| pungent thujonic labdanum honey cistus | |
| Odor Description: at 10.00 % in dipropylene glycol. | pungent thujone labdanum honey cistus |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 2,6,6-Trimethylcyclohexanone |
| Carbosynth |
| For experimental / research use only. |
| 2,2,6-Trimethyl-1-Cyclohexanone |
| CFC Scientific |
| 2,2,6-trimethylcyclohexanone,98 % |
| Penta International |
| 2,2,6-TRIMETHYLCYCLOHEXANONE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 2,2,6-Trimethylcyclohexanone |
| Synerzine |
| 2,2,6-Trimethylcyclohexanone |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 10 - Flammable. R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 36 - Wear suitable protective clothing. | |
| 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 cistus cyclohexanone usage levels up to: | |||
| 0.1000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 2.10 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.04 (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: 9 | |||
| Click here to view publication 9 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 3.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 3.00000 | |
| fruit ices: | - | 3.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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 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 51, (FGE.51)[1] - Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) and structurally related to alicyclic ketones, secondary alcohols and related esters evaluated by EFSA in FGE.09 (2004) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf | |
| Flavouring Group Evaluation 9, Revision 1: (FGE.09 Rev1)[1] - Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical groups 8 and 30, and an ester of a phenol carboxylic acid from chemical group 25 - 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 9, Revision 2 (FGE.09Rev2): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 51, Revision 1 (FGE.51Rev1): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by the JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev3 (2011) View page or View pdf | |
| Flavouring Group Evaluation 51, Revision 2 (FGE.51Rev2): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev6 (2015) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 2408-37-9 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 17000 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1224 |
| WGK Germany: | 3 |
| 2,2,6-trimethylcyclohexan-1-one | |
| Chemidplus: | 0002408379 |
References:
| 2,2,6-trimethylcyclohexan-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2408-37-9 |
| Pubchem (cid): | 17000 |
| Pubchem (sid): | 134982558 |
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): | Search |
| FooDB: | FDB012038 |
| Export Tariff Code: | 2914.29.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| amber | ||
| ambrein | FR | |
| ambroxan | FL/FR | |
| labdanum oil | FL/FR | |
| balsamic | ||
| amyl cinnamate | FL/FR | |
| balsam ketone | FR | |
| iso | butyl cinnamate | FL/FR |
| linalyl cinnamate | FL/FR | |
| black | poplar bud oleoresin | FL/FR |
| fruity | ||
| cyclohexyl crotonate | FR | |
| herbal | ||
| chamomile oil morocco | FR | |
| pine | ||
| plectranthus glandulosus hook f. leaf oil cameroon | FR | |
| woody | ||
| atlas | cedarwood oil | FR |
| copaiba balsam | FL/FR | |
| labdanum ethanone | FR | |
| patchouli oil | FL/FR | |
| sclareolide | FL/FR | |
| For Flavor | ||
| No flavor group found for these | ||
| black | poplar bud oleoresin | FL/FR |
| amber | ||
| labdanum oil | FL/FR | |
| balsamic | ||
| amyl cinnamate | FL/FR | |
| iso | butyl cinnamate | FL/FR |
| fruity | ||
| linalyl cinnamate | FL/FR | |
| woody | ||
| ambroxan | FL/FR | |
| copaiba balsam | FL/FR | |
| patchouli oil | FL/FR | |
| sclareolide | FL/FR | |
Potential Uses:
| amber | FR | |
| cedar | FR | |
| honey | FR | |
| labdanum | FR | |
| moss | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| apricot fruit Search Trop Picture | |
| bilberry fruit Search Trop Picture | |
| cassie absolute @ 0.07% Data GC Search Trop Picture | |
| cistus ladaniferus Search Trop Picture | |
| cistus oil @ 1.3% Data GC Search Trop Picture | |
| labdanum leaf oil @ 0.90% Data GC Search Trop Picture | |
| labdanum oil @ 0.75% Data GC Search Trop Picture | |
| oat seed Search Trop Picture | |
| passion fruit juice Search Trop Picture | |
| plumcot fruit Search PMC Picture | |
| tea black tea Search Trop Picture | |
| tea green tea Search Trop Picture | |
| tea rooibos tea Search Trop Picture | |
| wine white wine Search Picture |
Synonyms:
| cyclohexanone, 2,2,6-trimethyl- | |
| 2,2,6- | trimethyl cyclohexan-1-one |
| 2,2,6- | trimethyl cyclohexanone |
| 1,1,3- | trimethyl-2-cyclohexanone |
| 2,2,6- | trimethylcyclohexan-1-one |
| 2,6,6- | trimethylcyclohexan-1-one |
| 2,2,6- | trimethylcyclohexanone |
| 2,6,6- | trimethylcyclohexanone |