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| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. |
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| IUPAC name : | 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol |
| InChI : | InChI=1/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2 |
| InChIKey : | VVOAZFWZEDHOOU-UHFFFAOYAE |
| SMILES : | C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)O |
| cas number : | 528-43-8 |
| fema number : | 4559 |
| molar refractivity : | 82.42 ± 0.3 cm3 |
| parachor : | 621.4 ± 4.0 cm3 |
| index of refraction : | 1.601 ± 0.02 |
| surface tension : | 44.6 ± 3.0 dyne/cm |
| density : | 1.107 ± 0.06 g/cm3 |
| polarizability : | 32.67 ± 0.5 10-24cm3 |
| XlogP : | 5.30 |
| XlogP3-AA : | 5.00 |
| molecular weight : | 266.3343200 (IUPAC) |
| formula : | C18 H18 O2 |
| BioActivity Analysis : | 26755254 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Sigma-Aldrich-Sigma : | Magnolol
≥95% (HPLC), from plant |
| Xi'an Honson : | Magnolol
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organoleptics :
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properties :
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| appearence : | white crystalline powder |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 398.00 to 400.00 °C. @ 760.00 mm Hg
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| flash point : | 364.00 °F. TCC ( 184.44 °C. )
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| logP (o/w) : | 3.94 |
| shelf life : | 12.00 month(s) or longer if stored properly. |
| storage : | refrigerate in tightly sealed containers. |
safety :
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| most important hazard(s) : | Xi N - Irritant, Dangerous for the environment. |
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R 37/38 - Irritating to respiratory system and skin. R 41 - Risk of serious damage to eyes. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 39 - Wear eye/face protection. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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| Oral Toxicity(LD50) : |
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Oral-Mouse 2200.00 mg/kg British Patent Document. Vol. #5135746
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for magnolol fragrance usage levels up to : |
| | not for fragrance use.
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| 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 on the "LIBRARY" link. |
| publication number : 24 |
| | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | 2000.00000 | 2000.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 2000.00000 | 2000.00000 |
| 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 :
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| EPI System : | view |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| WISER : | UN 3077 |
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| WGK Germany : | 3 |
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| | 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol |
| RTECS : | DV5105500 for cas# 528-43-8 |
| chemidplus : | 000528438 |
| EPA Substance Registry Services : | 528-43-8 |
| dtp/nci : | 293099 |
references :
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| | 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol |
| pubchem : | 214564 |
Cosmetics :
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| Cosmetic uses : |
antioxidants
bleaching agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |