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| IUPAC name : | 6,10,14-trimethylpentadeca-5,9,13-trien-2-one |
| InChI : | InChI=1/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3 |
| InChIKey : | LTUMRKDLVGQMJU-UHFFFAOYAW |
| SMILES : | CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C |
| cas number : | 762-29-8 |
| (EINECS) number : | 212-097-9 |
| beilstein number : | 1781239 |
| fema number : | 3442 |
| coe number : | 11206 |
| jecfa number : | 1123 |
| fl. number : | 07.114 |
| molar refractivity : | 85.17 ± 0.3 cm3 |
| parachor : | 703.5 ± 4.0 cm3 |
| index of refraction : | 1.474 ± 0.02 |
| surface tension : | 29.0 ± 3.0 dyne/cm |
| density : | 0.866 ± 0.06 g/cm3 |
| polarizability : | 33.76 ± 0.5 10-24cm3 |
| XlogP : | 4.00 |
| molecular weight : | 262.4302000 (IUPAC) |
| formula : | C18 H30 O |
| NMR Predictor : | Predict |
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| IUPAC name : | (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one |
| InChI : | InChI=1/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+ |
| InChIKey : | LTUMRKDLVGQMJU-IUBLYSDUBO |
| SMILES : | CC(=CCC/C(=C/CC/C(=C/CCC(=O)C)/C)/C)C |
| cas number : | 762-29-8 (E) |
| (EINECS) number : | 212-097-9 |
| fema number : | 3442 |
| coe number : | 11206 |
| jecfa number : | 1123 |
| fl. number : | 07.114 |
| molar refractivity : | 85.17 ± 0.3 cm3 |
| parachor : | 703.5 ± 4.0 cm3 |
| index of refraction : | 1.474 ± 0.02 |
| surface tension : | 29.0 ± 3.0 dyne/cm |
| density : | 0.866 ± 0.06 g/cm3 |
| polarizability : | 33.76 ± 0.5 10-24cm3 |
| XlogP : | 4.00 |
| molecular weight : | 262.4302000 (IUPAC) |
| formula : | C18 H30 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2914.19.0000 |
| fda reg : | unspecified |
Suppliers :
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| Bedoukian Research : | FARNESYL ACETONE
≥95.0%, Kosher Odor: Fruity, wine-like, somewhat floral |
| Penta : | farnesyl acetone
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| Sigma-Aldrich-Aldrich : | Farnesylacetone
technical, mixture of stereo isomers, ≥90% (GC) |
organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description : at 100.00 %. | fruity wine floral creamy |
properties :
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| appearence : | pale greenish yellow clear liquid |
| assay : | 95.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87000 to 0.88000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.239 to 7.322
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| refractive index : | 1.47600 to 1.48600 @ 20.00 °C.
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| boiling point : | 147.00 to 148.00 °C. @ 0.50 mm Hg
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| boiling point : | 302.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.00100 mm/Hg @ 25.00 °C. |
| flash point : | 230.00 °F. TCC ( 110.00 °C. )
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| logP (o/w) : | 6.16 |
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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Oral-Rat [sex: M,F] >5000.00 mg/kg (De Groot et al., 1974)
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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) : | 0.085 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | ND (μg/capita/day) |
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| recommendation for farnesyl acetone usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for farnesyl acetone usage levels up to : |
| | 2.0000 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 |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 6,10,14-trimethylpentadeca-5,9,13-trien-2-one
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| (EINECS) number : | 212-097-9 |
| chemidplus : | 000762298 |
| EPA Substance Registry Services : | 762-29-8 |
| | (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
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references :
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| | 6,10,14-trimethylpentadeca-5,9,13-trien-2-one
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| fl. number : | 07.114 |
| jecfa number : | 1123 |
| NIST Chemistry WebBook : | 1264637772 |
| pubchem : | 197467 |
| | (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
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| fl. number : | 07.114 |
| jecfa number : | 1123 |
| NIST Chemistry WebBook : | 2170072474) |
| pubchem : | 213871 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |