Articles:
cinchonan-9-ol, 6'-methoxy-, monohydrochloride, (8-a,9R)-
Notes:
Bitter flavouring Used in tonics and bitter drinks Quinine is a natural white crystalline alkaloid having antipyretic, antimalarial, analgesic, anti-inflammatory properties and a bitter taste. It is a stereoisomer of quinidine which, unlike quinine, is an anti-arrhythmic. Though it has been synthesized in the lab, the bark of the cinchona tree is the only known natural source of quinine. Quinine was the first effective treatment for malaria caused by Plasmodium falciparum, appearing in therapeutics in the 17th century. It remained the antimalarial drug of choice until the 1940s, when other drugs replaced it. (Wikipedia)
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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): 130-89-2 Quinine Hydrochloride
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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): 17-40000 QUININE HYDROCHLORIDE DIHYDRATE
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| CAS Number: | 130-89-2 |  3D/inchi
|
| Other(deleted CASRN): | 11034-23-4 | |
| ECHA EINECS - REACH Pre-Reg: | 205-001-1 | |
| FDA UNII: | 7CS0WNO31M | |
| MDL: | MFCD00151248 | |
| CoE Number: | 715 | |
| Molecular Weight: | 360.88365000 | |
| Formula: | C20 H25 N2 O2 Cl | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavoring agents and adjuvants
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 |
| DG SANTE Food Flavourings: | 14.011 quinine hydrochloride |
| FEMA Number: | 2976 quinine hydrochloride |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 130-89-2 ; QUININE HYDROCHLORIDE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.575 Quinine. | |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 115.00 to 116.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 495.00 to 497.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 488.00 °F. TCC ( 253.33 °C. ) |
| logP (o/w): | 3.496 (est) |
| Soluble in: | |
| alcohol | |
| water, 161.6 mg/L @ 25 °C (est) | |
| water, 4.76E+04 mg/L @ 25 °C (exp) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Quinine Hydrochloride |
| ExtraSynthese |
| For experimental / research use only. |
| Quinine Hydrochloride |
| Penta International |
| QUININE HYDROCHLORIDE DIHYDRATE |
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-guinea pig LDLo 300 mg/kg Archives Internationales de Pharmacodynamie et de Therapie. Vol. 12, Pg. 497, 1904. intraperitoneal-mouse LD50 189 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 133, 1947. oral-mouse LD50 1160 mg/kg British Journal of Pharmacology and Chemotherapy. Vol. 6, Pg. 185, 1951. intravenous-cat LDLo 80 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 30, Pg. 327, 1927. oral-chicken LDLo 857 mg/kg LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: COMA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 201, Pg. 402, 1943. intravenous-dog LDLo 75 mg/kg BEHAVIORAL: EXCITEMENT Journal of Pharmacology and Experimental Therapeutics. Vol. 82, Pg. 266, 1944. unreported-frog LDLo 350 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 8, Pg. 53, 1916. intravenous-human LDLo 230 ug/kg GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 17, Pg. 363, 1883. intravenous-mouse LD50 68300 ug/kg Toxicology and Applied Pharmacology. Vol. 1, Pg. 454, 1959. intravenous-rabbit LDLo 25 mg/kg BEHAVIORAL: EXCITEMENT Journal of Pharmacology and Experimental Therapeutics. Vol. 82, Pg. 266, 1944. oral-rabbit LDLo 800 mg/kg Archives Internationales de Pharmacodynamie et de Therapie. Vol. 12, Pg. 497, 1904. oral-rat LD50 620 mg/kg Farm Chemicals Handbook. Vol. -, Pg. C218, 1991. intramuscular-rat LDLo 300 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 63, Pg. 122, 1938. intravenous-rat LDLo 75 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 63, Pg. 122, 1938. | |
| Dermal Toxicity: | |
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subcutaneous-mouse LDLo 700 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 8, Pg. 53, 1916. subcutaneous-rabbit LDLo 250 mg/kg Archives Internationales de Pharmacodynamie et de Therapie. Vol. 12, Pg. 497, 1904. subcutaneous-dog LDLo 180 mg/kg Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 11, Pg. 257, 1920. subcutaneous-rat LDLo 790 mg/kg LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES CARDIAC: OTHER CHANGES BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 11, Pg. 257, 1920. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents and adjuvants | ||
| Recommendation for quinine hydrochloride usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 790.00 (μg/capita/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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 110.00000 | |
| 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: | - | - | |
| 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: | - | - | |
| 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): | 10.00000 | 10.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 10.00000 | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 40.00000 | 40.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | - | - | |
| Bakery wares (07.0): | 20.00000 | 20.00000 | |
| 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): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | - | - | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 100.00000 | 100.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 100.00000 | 100.00000 | |
| 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): | |
| Flavouring Group Evaluation 29 (FGE29)[1] - Substance from the priority list: Vinylbenzene from chemical group 31 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf | |
| Flavouring Group Evaluation 35, (FGE.35)[1] - Three quinine salts from the Priority list from chemical group 30 - 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 35, Revision 1 (FGE.35Rev1): Three quinine salts from the Priority list from chemical group 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 49, Revision 1 (FGE.49Rev1): xanthine alkaloids from the priority list View page or View pdf | |
| EPI System: | View |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA GENetic TOXicology: | Search |
| EPA Substance Registry Services (TSCA): | 130-89-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 8547 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 1 |
| (4-ethenyl-1-azabicyclo[2.2.2]octan-7-yl)-(6-methoxyquinolin-4-yl)methanol hydrochloride | |
| Chemidplus: | 0000130892 |
References:
| (4-ethenyl-1-azabicyclo[2.2.2]octan-7-yl)-(6-methoxyquinolin-4-yl)methanol hydrochloride | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 130-89-2 |
| Pubchem (cid): | 8547 |
| Pubchem (sid): | 134973207 |
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 |
| FooDB: | FDB002085 |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| chinimetten | |
| cinchonan-9-ol, 6'-methoxy-, monohydrochloride, (8-a,9R)- | |
| cinchonan-9-ol, 6'-methoxy-, monohydrochloride, (8a,9R)- | |
| cinchonan-9-ol, 6'-methoxy-, monohydrochloride, dihydrate, (8a,9R)- | |
| (4- | ethenyl-1-azabicyclo[2.2.2]oct-2-yl)(6-methoxyquinolin-4-yl)methanol hydrochloride(1:1) |
| (4- | ethenyl-1-azabicyclo[2.2.2]octan-7-yl)-(6-methoxyquinolin-4-yl)methanol hydrochloride |
| (8alpha,9R)-6'- | methoxycinchonan-9-ol monohydrochloride |
| 6'- | methoxycinchonan-9-ol monohydrochloride, (8a,9R)- |
| quinine monohydrochloride | |
| quinine muriate | |
| quinine, monohydrochloride |