ammonium glycyrrhizate
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InChI :InChI=1/C42H62O16.H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);1H3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;/m0./s1
InChIKey :ILRKKHJEINIICQ-OOFFSTKBBL
SMILES :CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.N
cas number :53956-04-0
(EINECS) number :258-887-7
beilstein number :3897076
fema number :2528
coe number :2221
fl. number :16.060
molecular weight : 839.9626000 (IUPAC)
formula :C42 H65 N O16
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :184.1408

Suppliers :
Nanjing :Glycyrrhizic acid ammonium salt
Penta :ammoniated glycyrrhizin
TCI AMERICA :Monoammonium Glycyrrhizinate Hydrate
>75.0%(LC)

organoleptics :
odor strength :none
odor description :
at 100.00 %.  
bland

properties :
appearence :pale yellow to amber brown solid
assay : 75.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 209.00 to 215.00 °C. @ 760.00 mm Hg
boiling point : 971.00 to 972.00 °C. @ 760.00 mm Hg
flash point : 550.00  °F.  TCC  ( 287.78 °C. )
logP (o/w) : 4.64
shelf life : 12.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.

safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) :
  Oral-Rat    >10000.00  mg/kg
Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 22, Pg. 449, 1987.

Intraperitoneal-Rat    >300.00  mg/kg
Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 22, Pg. 449, 1987.

Oral-Mouse    9818.00  mg/kg
Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 22, Pg. 449, 1987.

intravenous-Mouse    540.00  mg/kg
Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 22, Pg. 449, 1987.

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :130.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :90 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :210000 (μg/person/day)
Structure Class :III
 
recommendation for ammonium glycyrrhizate usage levels up to :
 not for fragrance use.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 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 (EFFA, 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) : -40.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : --
Edible ices, including sherbet and sorbet (03.0) : -91.00000
Processed fruit (04.1) : --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : -1512.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : -45.00000
Bakery wares (07.0) : -61.00000
Meat and meat products, including poultry and game (08.0) : --
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : -300.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : -100.00000
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : -50.00000
Foodstuffs intended for particular nutritional uses (13.0) : -60.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : -200.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : -200.00000
Ready-to-eat savouries (15.0) : -150.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : -79.00000

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
(EINECS) number :258-887-7
RTECS :LZ6500000 for 53956-04-0
chemidplus :053956040
EPA Substance Registry Services :53956-04-0

references :
fl. number :16.060
pubchem :198565

Cosmetics :
Cosmetic uses : masking agents
skin conditioning

other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 ammoniated glycyrrhizin
monoammonium glycyrrhizate
monoammonium glycyrrhizinate
 glycyrrhizic acid ammoniated
 glycyrrhizic acid ammonium salt
 glycyrrhizic acid monoammonium salt
 glycyrrhizin ammoniated
 glycyrrhizinic acid ammonium salt

soluble in :
 water

(odor and/or flavor) used in :
 biological additives
 skin conditioning

natural occurrence in :
not found in nature



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