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| IUPAC name : | 4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-ol |
| InChI : | InChI=1/C15H24O/c1-9(2)12-7-14-10(3)5-13(16)6-11(4)15(14)8-12/h5,11,13-16H,6-8H2,1-4H3 |
| InChIKey : | INIOTLARNNSXAE-UHFFFAOYAO |
| SMILES : | CC1CC(C=C(C2C1CC(=C(C)C)C2)C)O |
| cas number : | 89-88-3 |
| (EINECS) number : | 201-949-5 |
| fema number : | 4217 |
| coe number : | 10321 |
| jecfa flavoring : | 1866 |
| fl. number : | 02.214 |
| molar refractivity : | 68.25 ± 0.3 cm3 |
| parachor : | 544.7 ± 6.0 cm3 |
| index of refraction : | 1.509 ± 0.02 |
| surface tension : | 32.2 ± 3.0 dyne/cm |
| density : | 0.964 ± 0.06 g/cm3 |
| polarizability : | 27.05 ± 0.5 10-24cm3 |
| XlogP : | 3.60 |
| XlogP3-AA : | 3.30 |
| molecular weight : | 220.3504600 (IUPAC) (PT) (112) |
| formula : | C15 H24 O |
| NMR Predictor : | Predict |
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| IUPAC name : | (5R,6R)-6,10-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-ol |
| InChIKey : | XCEXBRKEGXBUJE-ATFAPYMMBY |
| cas number : | 68129-81-7 |
| (EINECS) number : | 268-578-9 |
| molar refractivity : | 68.04 ± 0.4 cm3 |
| parachor : | 545.0 ± 6.0 cm3 |
| index of refraction : | 1.519 ± 0.03 |
| surface tension : | 35.1 ± 5.0 dyne/cm |
| density : | 0.98 ± 0.1 g/cm3 |
| polarizability : | 26.97 ± 0.5 10-24cm3 |
| XlogP : | 3.60 |
| XlogP3-AA : | 3.30 |
| molecular weight : | 220.3504600 (IUPAC) (PT) (112) |
| formula : | C15 H24 O |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Berje : | Vetyverol
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| Fleurchem : | vetiverol
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| Global Essence : | VETIVEROL HAITI
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| Mane : | vetiverol
(ex Vetyver) |
| Penta : | vetiverol
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organoleptics :
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| odor type : | woody |
| odor strength : | medium |
odor description: at 100.00 %. | sweet balsam woody root sandalwood Luebke, William tgsc, (1986) |
| odor sample from : | International Flavors & Fragrances Inc. |
| substantivity : | 341 hour(s) at 100.00 % |
properties :
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| appearence : | yellow to pale green clear viscous liquid |
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98400 to 1.00400 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.188 to 8.354
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| refractive index : | 1.52100 to 1.52700 @ 20.00 °C.
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 4.84 |
safety :
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| Oral Toxicity(LD50) : | |
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Not determined
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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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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.011 (μg/capita/day) |
| Structure Class : | I |
| |
| recommendation for vetiverol fragrance usage levels up to : |
| | 10.0000 % 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 : 22 |
| | average usual ppm | average maximum ppm |
| baked goods : | 10.00000 | 50.00000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 5.00000 | 25.00000 |
| cheese : | 7.00000 | 35.00000 |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | 10.00000 | 50.00000 |
| egg products : | - | - |
| fats / oils : | 5.00000 | 25.00000 |
| fish products : | 2.00000 | 10.00000 |
| frozen dairy : | 7.00000 | 35.00000 |
| fruit ices : | 10.00000 | 50.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 20.00000 | 100.00000 |
| imitation dairy : | 7.00000 | 35.00000 |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 5.00000 | 25.00000 |
| milk products : | 7.00000 | 35.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | 2.00000 | 10.00000 |
| processed fruits : | 7.00000 | 35.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 5.00000 | 25.00000 |
| snack foods : | - | - |
| soft candy : | 20.00000 | 100.00000 |
| soups : | 5.00000 | 25.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | 5.00000 | 25.00000 |
safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-ol |
| (EINECS) number : | 201-949-5 |
| chemidplus : | 000089883 |
| EPA Substance Registry Services : | 89-88-3 |
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| |
| | (5R,6R)-6,10-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-ol |
| (EINECS) number : | 268-578-9 |
| chemidplus : | 068129817 |
| EPA Substance Registry Services : | 68129-81-7 |
references :
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| | 4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-ol |
| fl. number : | 02.214 |
| jecfa flavoring : | 1866 |
| pubchem : | 678975 |
| | (5R,6R)-6,10-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-ol |
| pubchem : | 3887857 |
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 |