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| IUPAC name : | (2R)-6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-ol |
| InChI : | InChI=1/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m0/s1 |
| InChIKey : | RGZSQWQPBWRIAQ-LSDHHAIUBJ |
| SMILES : | CC1=CC[C@@H](CC1)[C@@](C)(CCC=C(C)C)O |
| cas number : | 515-69-5 |
| (EINECS) number : | 208-205-9 |
| beilstein number : | 5733954 |
| fema number : | 4666 |
| coe number : | 10178 |
| fl. number : | 02.129 |
| molar refractivity : | 70.14 ± 0.3 cm3 |
| parachor : | 580.3 ± 6.0 cm3 |
| index of refraction : | 1.494 ± 0.02 |
| surface tension : | 33.6 ± 3.0 dyne/cm |
| density : | 0.922 ± 0.06 g/cm3 |
| polarizability : | 27.80 ± 0.5 10-24cm3 |
| XlogP : | 4.10 |
| XlogP3-AA : | 3.80 |
| molecular weight : | 222.3663400 (IUPAC) |
| formula : | C15 H26 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Moellhausen : | alpha-bisabolol
97% min. natural kosher Odor: diffusive, soft woody, mild floral, pepper and sandalwood note. Flavor: mild floral, dusty, woody, spicy and citrus note. |
| Sigma-Aldrich-Fluka : | a-Bisabolol
technical, ≥85% |
organoleptics :
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| odor type : | floral |
| odor strength : | low |
odor description : at 100.00 %. | mild floral peppery note |
properties :
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| appearence : | colorless clear viscous liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| refractive index : | 1.49300 to 1.49700 @ 20.00 °C.
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| boiling point : | 314.00 to 315.00 °C. @ 760.00 mm Hg
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| flash point : | 275.00 °F. TCC ( 135.00 °C. )
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| logP (o/w) : | 5.63 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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| Oral Toxicity(LD50) : |
| |
Oral-Rat >5000.00 mg/kg International Journal of Toxicology. Vol. 18
Intraperitoneal-Mouse 633.00 mg/kg International Journal of Toxicology. Vol. 18
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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 alpha-bisabolol usage levels up to : |
| | 8.0000 % 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 : 24 |
| | average usual ppm | average maximum ppm |
| baked goods : | 4.00000 | 20.00000 |
| beverages(nonalcoholic) : | 10.00000 | 30.00000 |
| beverages(alcoholic) : | 10.00000 | 30.00000 |
| breakfast cereal : | 10.00000 | 30.00000 |
| cheese : | - | - |
| chewing gum : | 50.00000 | 500.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | 20.00000 | 100.00000 |
| egg products : | - | - |
| fats / oils : | 10.00000 | 50.00000 |
| fish products : | - | - |
| frozen dairy : | 8.00000 | 50.00000 |
| fruit ices : | 8.00000 | 50.00000 |
| gelatins / puddings : | 8.00000 | 50.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 20.00000 | 100.00000 |
| imitation dairy : | 10.00000 | 30.00000 |
| instant coffee / tea : | 10.00000 | 50.00000 |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | 10.00000 | 30.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | 10.00000 | 30.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 20.00000 | 100.00000 |
| snack foods : | - | - |
| soft candy : | 20.00000 | 100.00000 |
| soups : | 8.00000 | 50.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
|
| EPI System : | view |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | (2R)-6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-ol
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| (EINECS) number : | 208-205-9 |
| RTECS : | MJ9685000 for 515-69-5 |
| chemidplus : | 000515695 |
| EPA Substance Registry Services : | 515-69-5 |
references :
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| | (2R)-6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-ol
|
| fl. number : | 02.129 |
| NIST Chemistry WebBook : | 1000985341 |
| pubchem : | 10524889 |
Cosmetics :
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| Cosmetic uses : |
masking agents
skin conditioning
soothing agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| Household Products : | Search |