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| IUPAC name : | (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene |
| InChI : | InChI=1/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+ |
| InChIKey : | CXENHBSYCFFKJS-VDQVFBMKBY |
| SMILES : | CC(=CCC/C(=C/C\C=C(/C)\C=C)/C)C |
| (EINECS) number : | 207-948-6 |
| cas number : | 502-61-4 |
| fema number : | 3839 |
| coe number : | 10998 |
| jecfa number : | 1343 |
| fl. number : | 01.040 |
| molar refractivity : | 70.63 ± 0.3 cm3 |
| parachor : | 569.9 ± 4.0 cm3 |
| index of refraction : | 1.470 ± 0.02 |
| surface tension : | 25.7 ± 3.0 dyne/cm |
| density : | 0.807 ± 0.06 g/cm3 |
| polarizability : | 28.00 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| molecular weight : | 204.3510600 |
| formula : | C15 H24 |
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| fda reg : | unspecified |
h. number : | 2901.29.00.14 |
| organoleptics : | |
| odor type : | woody |
| odor strength : | medium |
odor description : at 100.00 %. | citrus herbal lavender bergamot myrrh neroli green |
| taste description³ : | at 10.00 - 20.00 ppm. Fresh green vegetative, with celery and hay nuances and somewhat fatty and tropical fruity afternotes |
| properties : | |
| appearence : | pale yellow to yellow clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.84400 - 0.87900 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.023 to 7.314
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| refractive index : | 1.49000 - 1.50500 @ 20.00 °C.
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| boiling point : | 260.00 - 262.00 °C. @ 760.00 mm Hg
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| logp : | 6.62 |
| safety : | |
| 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 farnesene usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for farnesene usage levels up to : |
| | 20.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 207-948-6 |
| chemidplus : | 000502614 |
| epa-srs : | 502-61-4 |
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| other : | |
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| references : | |
| pubchem : | 153692 |
| NIST Chemistry WebBook : | 2566441404 |
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| reference : | Mosciano, Gerard P&F 25, No. 1, 49, (2000)³ |