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| IUPAC name : | [(2E)-3,7-dimethylocta-2,6-dienyl] octanoate |
| InChI : | InChI=1/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3/b17-14+ |
| InChIKey : | YYBMOGCOPQVSLQ-SAPNQHFABW |
| SMILES : | CCCCCCCC(=O)OC\C=C(/C)\CCC=C(C)C |
| cas number : | 51532-26-4 |
| (EINECS) number : | 257-256-3 |
| fl. number : | 09.384 |
| molar refractivity : | 87.01 ± 0.3 cm3 |
| parachor : | 739.7 ± 4.0 cm3 |
| index of refraction : | 1.462 ± 0.02 |
| surface tension : | 30.0 ± 3.0 dyne/cm |
| density : | 0.887 ± 0.06 g/cm3 |
| polarizability : | 34.49 ± 0.5 10-24cm3 |
| XlogP : | 5.10 |
| molecular weight : | 280.4454800 |
| formula : | C18 H32 O2 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Fleurchem : | geranyl caprylate
natural |
| Penta : | geranyl octanoate
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organoleptics :
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| odor type : | herbal |
| odor strength : | medium |
odor description : at 100.00 %. | herbal rose fruity |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88200 to 0.89200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.339 to 7.422
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| refractive index : | 1.45800 to 1.46800 @ 20.00 °C.
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| boiling point : | 305.00 °C. @ 760.00 mm Hg
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 7.29 |
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) : |
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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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| recommendation for geranyl octanoate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | [(2E)-3,7-dimethylocta-2,6-dienyl] octanoate
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| (EINECS) number : | 257-256-3 |
| chemidplus : | 051532264 |
| EPA Substance Registry Services : | 51532-26-4 |
references :
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| | [(2E)-3,7-dimethylocta-2,6-dienyl] octanoate
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| fl. number : | 09.384 |
| NIST Chemistry WebBook : | 51532264 |
| pubchem : | 681334 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |