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| IUPAC name : | 3,7-dimethylocta-1,6-dien-3-yl octanoate |
| InChI : | InChI=1/C18H32O2/c1-6-8-9-10-11-14-17(19)20-18(5,7-2)15-12-13-16(3)4/h7,13H,2,6,8-12,14-15H2,1,3-5H3 |
| InChIKey : | OJKMRECJBIPPRG-UHFFFAOYAE |
| SMILES : | CCCCCCCC(=O)OC(C)(CCC=C(C)C)C=C |
| (EINECS) number : | 233-026-8 |
| cas number : | 10024-64-3 |
| fema number : | 2644 |
| coe number : | 397 |
| jecfa number : | 365 |
| fl. number : | 09.116 |
| molar refractivity : | 86.80 ± 0.3 cm3 |
| parachor : | 740.5 ± 4.0 cm3 |
| index of refraction : | 1.458 ± 0.02 |
| surface tension : | 29.5 ± 3.0 dyne/cm |
| density : | 0.882 ± 0.06 g/cm3 |
| polarizability : | 34.41 ± 0.5 10-24cm3 |
| xlogp : | 6.30 |
| molecular weight : | 280.4454800 |
| formula : | C18 H32 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | herbal |
| odor strength : | medium |
odor description :
at 100.00 %. | dry fruity herbal sweet green natural |
| substantivity : | 72 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 90.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87500 - 0.88500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.281 to 7.364
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| refractive index : | 1.45400 - 1.45700 @ 20.00 °C.
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| logp : | 7.02 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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| recommendation for linalyl octanoate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for linalyl octanoate usage levels up to : |
| | 15.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 233-026-8 |
| chemidplus : | 010024643 |
| epa-srs : | 10024-64-3 |
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| other : | |
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| references : | |
| jecfa number : | 365 |
| fl. number : | 09.116 |
| pubchem : | 197694 |
| NIST Chemistry WebBook : | 1849131681 |
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