| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 58543-17-2 |
| FDA UNII: | U2N4XKX7HP |
| Category: | natural substances and extractives |
| IUPAC Name: | rebaudioside B |
| InChI : | InChI=1/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29+,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1 |
| Std.InChI: | InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29+,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1 |
| InChIKey : | DRSKVOAJKLUMCL-MMUIXFKXBT |
| Std.InChIKey: | DRSKVOAJKLUMCL-MMUIXFKXSA-N |
| SMILES : | C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O |
| Molar Refractivity : | 190.36 ± 0.4 cm3 (est) |
| Parachor : | 1596.3 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.645 ± 0.03 (est) |
| Surface Tension : | 85.6 ± 5.0 dyne/cm (est) |
| Density : | 1.53 ± 0.1 g/cm3 (est) |
| Polarizability : | 75.46 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| FEMA Number: | 4978 |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 68.35 mg/L @ 25 °C (est) | |
| None found |
| Alfa Biotechnology |
| For experimental / research use only. |
| Rebaudioside B 98% |
| BOC Sciences |
| For experimental / research use only. |
| Rebaudioside B |
| Sigma-Aldrich |
| For experimental / research use only. |
| Rebaudioside B analytical standard |
| 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 | |
| Category: | |||
| natural substances and extractives | |||
| Recommendation for rebaudioside B 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: 30 | |||
| Click here to view publication 30 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 20.00000 | 30.00000 | |
| beverages(nonalcoholic): | 20.00000 | 30.00000 | |
| beverages(alcoholic): | 20.00000 | 30.00000 | |
| breakfast cereal: | 20.00000 | 30.00000 | |
| cheese: | - | - | |
| chewing gum: | 25.00000 | 30.00000 | |
| condiments / relishes: | 20.00000 | 30.00000 | |
| confectionery froastings: | 20.00000 | 30.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 20.00000 | 30.00000 | |
| fruit ices: | 20.00000 | 30.00000 | |
| gelatins / puddings: | 20.00000 | 30.00000 | |
| granulated sugar: | - | - | |
| gravies: | 20.00000 | 30.00000 | |
| hard candy: | 20.00000 | 30.00000 | |
| imitation dairy: | 20.00000 | 30.00000 | |
| instant coffee / tea: | 20.00000 | 30.00000 | |
| jams / jellies: | 20.00000 | 30.00000 | |
| meat products: | - | - | |
| milk products: | 20.00000 | 30.00000 | |
| nut products: | 20.00000 | 30.00000 | |
| other grains: | 20.00000 | 30.00000 | |
| poultry: | - | - | |
| processed fruits: | 20.00000 | 30.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 20.00000 | 30.00000 | |
| snack foods: | 20.00000 | 30.00000 | |
| soft candy: | 20.00000 | 30.00000 | |
| soups: | 20.00000 | 30.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 20.00000 | 30.00000 | |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :21593623 |
| National Institute of Allergy and Infectious Diseases:Data |
| (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| Chemidplus:0058543172 |
| (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 21593623 |
| Pubchem (cas): | 58543-17-2 |
| (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 |
| HMDB (The Human Metabolome Database): | HMDB34949 |
| FooDB: | FDB013542 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| None Found |
| None Found |
| (8alpha,9beta,10alpha,13alpha)-13-{[beta-D- | glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid |
| (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5- | hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| rebaudioside B 95% |
