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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 |
| cas number : | 502-61-4 |
| (EINECS) number : | 207-948-6 |
| 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 |
| NMR Predictor : | Predict |
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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 |
| cas number : | 21499-64-9 |
| 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 |
| NMR Predictor : | Predict |
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| export tariff code : | 2901.29.6000 |
| fda reg : | unspecified |
Suppliers :
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| Bedoukian Research : | FARNESENE
Kosher Odor: A woody, green vegetative odor with a lavender background. |
| Berje : | Farnesene
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| IFF : | Farnesene
1% PG/ETOH, NI, Kosher |
| Penta : | farnesene
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| Sigma-Aldrich-SAFC : | Farnesene
Kosher Odor: apple; lavender; lime; green; woody; herbaceous |
organoleptics :
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| odor type : | woody |
| odor strength : | medium |
odor description :¹ at 100.00 %. | citrus herbal lavender bergamot myrrh neroli green |
| odor sample from : | Bedoukian Research, Inc. |
properties :
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| appearence : | pale yellow to yellow clear liquid |
| assay : | 67.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.83400 to 0.84500 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.940 to 7.031
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| refractive index : | 1.49000 to 1.50000 @ 20.00 °C.
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| boiling point : | 260.00 to 262.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.00800 mm/Hg @ 20.00 °C. |
| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 6.62 |
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. S 36 - Wear suitable protective clothing.
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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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 40.00 (μg/capita/day) |
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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 references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| 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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| | (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
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| (EINECS) number : | 207-948-6 |
| chemidplus : | 000502614 |
| EPA Substance Registry Services : | 502-61-4 |
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| | (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
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| chemidplus : | 21499-64-9 |
| EPA Substance Registry Services : | 21499-64-9 |
references :
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| | (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
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| fl. number : | 01.040 |
| jecfa number : | 1343 |
| NIST Chemistry WebBook : | 2566441404 |
| pubchem : | 153692 |
| | (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
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| pubchem : | 21499-64-9 |
Cosmetics :
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| Cosmetic uses : |
masking agents
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1996)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |