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quinine hydrochloride
cinchonan-9-ol, 6'-methoxy-, monohydrochloride, (8-a,9R)-

Supplier Sponsors

Name:(4-ethenyl-1-azabicyclo[2.2.2]octan-7-yl)-(6-methoxyquinolin-4-yl)methanol hydrochloride
CAS Number: 130-89-2Picture of molecule3D/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, Edge 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:
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 ppmaverage 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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 10.0000010.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): 10.0000010.00000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 40.0000040.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 20.0000020.00000
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): 100.00000100.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 100.00000100.00000
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
 
 
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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