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quinine sulfate dihydrate
quinine, sulfate (2:1), dihydrate

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Name:(R)-[(5R,7S)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol; sulfuric acid; dihydrate
CAS Number: 6119-70-6Picture of molecule3D/inchi
FDA UNII: KF7Z0E0Q2B
Beilstein Number:6113937
MDL:MFCD00150792
Formula:C20 H24 N2 O2.1/2H2 O4 S.2H2 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring agents and adjuvants
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Additive: Quinine Sulfate
FEMA Number:2977 quinine sulfate dihydrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):6119-70-6 ; QUININE SULFATE
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:
Appearance:dull white crystalline powder (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 224.00 to 225.00 °C. @ 760.00 mm Hg
Boiling Point: 495.90 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.000000 mmHg @ 25.00 °C. (est)
Flash Point: 489.00 °F. TCC ( 253.70 °C. ) (est)
logP (o/w): 3.440 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 water
Insoluble in:
 ether
 
Organoleptic Properties:
Odor Strength:none
Odor Description:at 100.00 %. odorless
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Quinine Sulfate Dihydrate
ExtraSynthese
For experimental / research use only.
Quinine sulfate salt hydrate (HPLC) ≥90%
Glentham Life Sciences
Quinine sulfate hydrate
Penta International
QUININE SULFATE DIHYDRATE USP
Penta International
QUININE SULFATE FCC
Santa Cruz Biotechnology
For experimental / research use only.
Quinine hemisulfate
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
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:
flavoring agents and adjuvants
Recommendation for quinine sulfate dihydrate usage levels up to:
 not for fragrance use.
 
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): -100.00000
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: --
 
Safety References:
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

ClinicalTrials.gov:search
Daily Med:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61367
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(R)-[(5R,7S)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol; sulfuric acid; dihydrate
Chemidplus:0006119706
 
References:
 (R)-[(5R,7S)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol; sulfuric acid; dihydrate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):61367
Pubchem (sid):135018455
 
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
KEGG (GenomeNet):D02262
HMDB (The Human Metabolome Database):Search
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 antimalarial
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 cinchonan-9-ol, 6'-methoxy-, (3a,8a,9R)-, sulfate, hydrate (2:1:2) (salt)
 cinchonan-9-ol, 6'-methoxy-, (8a,9R)-, sulfate (2:1) (salt), dihydrate
(R)-[(5R,7S)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol; sulfuric acid; dihydrate
(8alpha,9R)-6'-methoxycinchonan-9-ol sulfate dihydrate (2:1) salt
6'-methoxycinchonan-9-ol sulfate dihydrate, (8a,9R)-, (2:1) (salt)
(3a,8a,9R)-6'-methoxycinchonan-9-ol sulfate hydrate (2:1:2)
 quinine hemisulfate monohydrate
 quinine sulfate (2:1) (salt) dihydrate
 quinine sulfate dihydrate USP
 quinine, sulfate (2:1), dihydrate
 
 
Notes:
an alkaloid derived from the bark of the cinchona tree. it is used as an antimalarial drug, and is the active ingredient in extracts of the cinchona that have been used for that purpose since before 1633. quinine is also a mild antipyretic and analgesic and has been used in common cold preparations for that purpose. it was used commonly and as a bitter and flavoring agent, and is still useful for the treatment of babesiosis. quinine is also useful in some muscular disorders, especially nocturnal leg cramps and myotonia congenita, because of its direct effects on muscle membrane and sodium channels. the mechanisms of its antimalarial effects are not well understood. /quinine/
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