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| IUPAC name : | (4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl) acetate |
| InChI : | InChI=1/C17H26O2/c1-10(2)14-8-16-11(3)6-15(19-13(5)18)7-12(4)17(16)9-14/h6,12,15-17H,7-9H2,1-5H3 |
| InChIKey : | UAVFEMBKDRODDE-UHFFFAOYAC |
| SMILES : | CC1CC(C=C(C2C1CC(=C(C)C)C2)C)OC(=O)C |
| (EINECS) number : | 204-225-7 |
| cas number : | 117-98-6 |
| fema number : | 4218 |
| coe number : | 11887 |
| jecfa number : | 1867 |
| fl. number : | 09.821 |
| molar refractivity : | 77.57 ± 0.4 cm3 |
| parachor : | 633.3 ± 6.0 cm3 |
| index of refraction : | 1.501 ± 0.03 |
| surface tension : | 33.6 ± 5.0 dyne/cm |
| density : | 0.99 ± 0.1 g/cm3 |
| polarizability : | 30.75 ± 0.5 10-24cm3 |
| xlogp : | 4.40 |
| molecular weight : | 262.3871400 |
| formula : | C17 H26 O2 |
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| IUPAC name : | vetiveryl acetate |
| InChI : | InChI=1/C17H26O2/c1-10(2)14-8-16-11(3)6-15(19-13(5)18)7-12(4)17(16)9-14/h6,12,15-17H,7-9H2,1-5H3 |
| InChIKey : | UAVFEMBKDRODDE-UHFFFAOYAC |
| SMILES : | CC1CC(C=C(C2C1CC(=C(C)C)C2)C)OC(=O)C |
| (EINECS) number : | 263-597-9 |
| cas number : | 62563-80-8 |
| fema number : | 4218 |
| molar refractivity : | 77.57 ± 0.4 cm3 |
| parachor : | 633.3 ± 6.0 cm3 |
| index of refraction : | 1.501 ± 0.03 |
| surface tension : | 33.6 ± 5.0 dyne/cm |
| density : | 0.99 ± 0.1 g/cm3 |
| polarizability : | 30.75 ± 0.5 10-24cm3 |
| xlogp : | 4.40 |
| molecular weight : | 262.3871400 |
| formula : | C17 H26 O2 |
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| export tariff code : | 2915.39.9050 |
| fda reg : | unspecified |
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Suppliers :
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| Fleurchem : | vetiveryl acetate, bourbon |
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| Fleurchem : | vetiveryl acetate, haiti |
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| Fleurchem : | vetiveryl acetate. java |
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| Sigma-Aldrich-SAFC : | Vetiver acetate, Java |
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organoleptics :
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| odor type : | woody |
| odor strength : | medium |
odor description¹ : at 100.00 %. | woody powdery root vetiver sweet dry sandal |
| substantivity : | 357 hour(s) at 100.00 % |
properties :
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| appearence : | pale yellow clear viscous liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97900 - 1.01500 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.146 to 8.446
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| refractive index : | 1.50500 - 1.51800 @ 20.00 °C.
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| melting point : | 73.00 °C. @ 760.00 mm Hg
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| boiling point : | 286.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 5.76 |
safety :
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| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for vetiveryl acetate 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). |
| publication number : 22. |
| 4218 | 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 links :
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| (EINECS) number : | 204-225-7 |
| chemidplus : | 000117986 |
| epa-srs : | 117-98-6 |
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| (EINECS) number : | 263-597-9 |
| chemidplus : | 062563808 |
| epa-srs : | 62563-80-8 |
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| ifra : | ifra - ( Found under : Acetylated Vetiver oil ) |
other :
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references :
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| jecfa number : | 1867 |
| fl. number : | 09.821 |
| pubchem : | 151490 |
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| pubchem : | 198824 |
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| reference : | Luebke, William tgsc, (1987)¹ |