Articles:
(1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(1-methylethyl)cyclohexanecarboxamide
Notes:
None found
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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): 68489-09-8 WS-12 98%
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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M&U International LLC Steady supply & demand Meeting customers increasing demands at home as well as abroad. M&U dedicates itself to the development and production of new products as well as continuously promoting those new products. We’ve maintained a steady supply&demand relationship with a large number of manufacturers at home and abroad. We’ve developed an extensive network and because of our relationships with these manufacturers, we’re able to provide a stable supply of great quality materials. We’re located in China’s largest communications hub, Shanghai and in the U.S. near one of the largest sea ports on the East Coast. The strategic locations of our facilities ensure convenient, prompt and secure delivery of our products to our customers. Email: Sales US Email: Sales Voice: +86-21-32515501 60762991 60762992 Fax: +86-21-32515502 64204960 US Voice: 908-359-9000 US Fax: 908-359-9002 News Product(s): A0573 WS-12
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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): 773-1008 ARCTIC SW-12
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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): H-005 WS-12
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| CAS Number: | 68489-09-8 |  3D/inchi
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| FDA UNII: | 1L7BVT4Z4Z | |
| Nikkaji Web: | J2.926.766I | |
| MDL: | MFCD11100191 | |
| XlogP3-AA: | 4.60 (est) | |
| Molecular Weight: | 289.41859000 | |
| Formula: | C18 H27 N O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor enhancers, 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: | 2079 (1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(1-methylethyl)cyclohexanecarboxamide |
| DG SANTE Food Flavourings: | 16.123 (1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(1-methylethyl)cyclohexanecarboxamide |
| FEMA Number: | 4681 (1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(1-methylethyl)cyclohexanecarboxamide |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 68489-09-8 ; (1R,2S,5R)-N-(4-METHOXYPHENYL)-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXANECARBOXAMIDE |
Physical Properties:
| Appearance: | white crystals (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 177.70 °C. @ 760.00 mm Hg |
| Boiling Point: | 447.00 to 448.00 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 436.00 °F. TCC ( 224.60 °C. ) (est) |
| logP (o/w): | 5.017 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.5185 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: minty | |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | cool minty |
| Flavor Type: cooling | |
| cooling | |
| Taste Description: | cooling |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| WS-12 98% |
| Gem Aromatics |
| Ws-12 |
| M&U International |
| WS-12 |
| O'Laughlin Industries |
| ARCTIC SW-12 |
| Parchem |
| (1R,2S,5R)-N-(4-Methoxyphenyl)-5-methyl-2-(1-methylethyl)cyclohexane-carboxamide |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| WS-12 |
| Sigma-Aldrich: Sigma |
| For experimental / research use only. |
| WS-12 ≥98% (HPLC), powder |
| Tianjin Danjun International |
| WS-12 |
| Tocris Bioscience |
| For experimental / research use only. |
| WS 12 >99 % |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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: | |
|
oral-rat LD50 [sex: F] > 2000 mg/kg (Bradshaw, 2008) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor enhancers, flavoring agents | ||
| Recommendation for WS-12 usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 12.00 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 150 (μg/person/day) | ||
| Threshold of Concern: | 90 (μg/person/day) | ||
| Structure Class: | III | ||
| 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: 25 | |||
| Click here to view publication 25 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 1.00000 | 5.00000 | |
| beverages(nonalcoholic): | 1.00000 | 5.00000 | |
| beverages(alcoholic): | 1.00000 | 10.00000 | |
| breakfast cereal: | 1.00000 | 5.00000 | |
| cheese: | - | - | |
| chewing gum: | 100.00000 | 500.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 1.00000 | 10.00000 | |
| egg products: | 1.00000 | 10.00000 | |
| fats / oils: | 1.00000 | 10.00000 | |
| fish products: | - | - | |
| frozen dairy: | 5.00000 | 20.00000 | |
| fruit ices: | 2.00000 | 20.00000 | |
| gelatins / puddings: | 2.00000 | 20.00000 | |
| granulated sugar: | 2.00000 | 20.00000 | |
| gravies: | - | - | |
| hard candy: | 2.00000 | 20.00000 | |
| imitation dairy: | 1.00000 | 5.00000 | |
| instant coffee / tea: | 1.00000 | 5.00000 | |
| jams / jellies: | 2.00000 | 20.00000 | |
| meat products: | - | - | |
| milk products: | 1.00000 | 5.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 1.00000 | 5.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 1.00000 | 20.00000 | |
| soups: | 1.00000 | 20.00000 | |
| sugar substitutes: | 1.00000 | 20.00000 | |
| sweet sauces: | - | - | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 0.50000 | 5.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.50000 | 10.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.50000 | 10.00000 | |
| Processed fruit (04.1): | 0.50000 | 5.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 1.00000 | 20.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.50000 | 5.00000 | |
| Bakery wares (07.0): | 0.50000 | 5.00000 | |
| Meat and meat products, including poultry and game (08.0): | - | - | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - | |
| Eggs and egg products (10.0): | 0.50000 | 10.00000 | |
| Sweeteners, including honey (11.0): | 1.00000 | 20.00000 | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 1.00000 | 20.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.10000 | 1.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.20000 | 1.00000 | |
| Ready-to-eat savouries (15.0): | - | - | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | - | - | |
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): | |
| Scientific Opinion on Flavouring Group Evaluation 304 (FGE.304): Five carboxamides from chemical group 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 304, Revision 1 (FGE.304Rev1): Four carboxamides from Chemical Groups 30 View page or View pdf | |
| EPI System: | View |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 11266244 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| (1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide | |
| Chemidplus: | 0068489098 |
References:
| Leffingwell: | Chirality or Article |
| (1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 11266244 |
| Pubchem (sid): | 74660095 |
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): | Search |
| FDA Listing of Food Additive Status: | View |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| cyclohexanecarboxamide, N-(4-methoxyphenyl)-5-methyl-2-(1-methylethyl)-, (1R,2S,5R)- | |
| (1R,2S,5R)-N-(4- | methoxyphenyl)-5-methyl-2-(1-methylethyl)cyclohexane-carboxamide |
| (1R,2S,5R)-N-(4- | methoxyphenyl)-5-methyl-2-(1-methylethyl)cyclohexanecarboxamide |
| (1R,2S,5R)-N-(4- | methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide |
| (1R,2S,5R)-2-iso | propyl-N-(4-methoxyphenyl)-5-methylcyclohexanecarboxamide |