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| IUPAC name : | 1,4,4-trimethyltricyclo[5.3.1.02,6]undecan-11-ol |
| InChI : | InChI=1/C14H24O/c1-13(2)7-10-9-5-4-6-14(3,12(9)15)11(10)8-13/h9-12,15H,4-8H2,1-3H3 |
| InChIKey : | GKUUOBPAWXVPEB-UHFFFAOYAB |
| SMILES : | CC1(CC2C3CCCC(C2C1)(C3O)C)C |
| cas number : | 56747-96-7 |
| (EINECS) number : | 260-364-3 |
| fema number : | 4410 |
| fl. number : | 16.064 |
| molar refractivity : | 62.35 ± 0.3 cm3 |
| parachor : | 510.0 ± 4.0 cm3 |
| index of refraction : | 1.513 ± 0.02 |
| surface tension : | 36.6 ± 3.0 dyne/cm |
| density : | 1.004 ± 0.06 g/cm3 |
| polarizability : | 24.71 ± 0.5 10-24cm3 |
| XlogP : | 4.30 |
| XlogP3-AA : | 3.90 |
| molecular weight : | 208.3397600 (IUPAC) |
| formula : | C14 H24 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Berje : | Caryophyllene Alcohol
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| Nanjing : | Caryophyllene alcohol
orders in chinese. |
organoleptics :
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| odor type : | spicy |
| odor strength : | medium |
odor description:
at 100.00 %. | spicy moss earthy |
properties :
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| appearence : | colorless clear liquid |
| assay : | 94.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 282.00 to 283.00 °C. @ 760.00 mm Hg
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| flash point : | 245.00 °F. TCC ( 118.33 °C. )
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| logP (o/w) : | 4.25 |
safety :
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| Oral Toxicity(LD50) : | |
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Oral-Rat >5000.00 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 841, 1974.
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit >5000.00 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 841, 1974.
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavor and fragrance agents |
| |
| recommendation for caryophyllene alcohol fragrance usage levels up to : |
| | 15.0000 % in the fragrance concentrate.
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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 : 23 |
| | average usual ppm | average maximum ppm |
| baked goods : | 1.00000 | 10.00000 |
| beverages(nonalcoholic) : | 0.10000 | 1.00000 |
| beverages(alcoholic) : | 0.30000 | 5.00000 |
| breakfast cereal : | - | - |
| cheese : | 0.20000 | 3.00000 |
| chewing gum : | 3.00000 | 20.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 0.30000 | 3.00000 |
| fruit ices : | 0.20000 | 3.00000 |
| gelatins / puddings : | 0.20000 | 3.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 1.00000 | 5.00000 |
| 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 : | 1.00000 | 5.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
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1,4,4-trimethyltricyclo[5.3.1.02,6]undecan-11-ol |
| (EINECS) number : | 260-364-3 |
| chemidplus : | 056747967 |
| EPA Substance Registry Services : | 56747-96-7 |
references :
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| |
1,4,4-trimethyltricyclo[5.3.1.02,6]undecan-11-ol |
| fl. number : | 16.064 |
| NIST Chemistry WebBook : | 3749198436 |
| pubchem : | 11077455 |
| Flavornet : | 56747-96-7 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| RIFM : | listed |
| FMA : | listed |