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| IUPAC name : | (2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal |
| InChI : | InChI=1/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11+ |
| InChIKey : | NOPLRNXKHZRXHT-YFVJMOTDBX |
| SMILES : | C/C(=C\CCC(=C)C=C)/CC\C=C(/C)\C=O |
| cas number : | 60066-88-8 |
| (EINECS) number : | 262-043-3 |
| fema number : | 3141 |
| coe number : | 10381 |
| jecfa number : | 1227 |
| fl. number : | 05.178 |
| molar refractivity : | 70.82 ± 0.3 cm3 |
| parachor : | 578.7 ± 4.0 cm3 |
| index of refraction : | 1.477 ± 0.02 |
| surface tension : | 28.6 ± 3.0 dyne/cm |
| density : | 0.872 ± 0.06 g/cm3 |
| polarizability : | 28.07 ± 0.5 10-24cm3 |
| XlogP : | 3.30 |
| molecular weight : | 218.3345800 |
| formula : | C15 H22 O |
| NMR Predictor : | Predict |
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| export tariff code : | 3301.10 |
| fda reg : | unspecified |
Suppliers :
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| Advanced Biotech : | sinensal
natural |
| Citrus and Allied Essences : | beta-sinensal
18/20% ex orange (natural) |
| IFF : | Sinensals
natural, Kosher Odor: Citrusy, Peely, Fatty, Woody |
organoleptics :
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| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | orange sweet fresh waxy juicy |
properties :
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| appearence : | colorless to orange clear liquid |
| assay : | 99.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91700 to 0.92300 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.630 to 7.680
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| refractive index : | 1.50400 to 1.51300 @ 20.00 °C.
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| boiling point : | 180.00 °C. @ 1.00 mm Hg
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| boiling point : | 331.00 to 333.00 °C. @ 760.00 mm Hg
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| acid value : | 3.00 max. KOH/g
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| flash point : | 312.00 °F. TCC ( 155.56 °C. )
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| logP (o/w) : | 4.84 |
safety :
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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) : | 0.91 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.50 (μg/capita/day) |
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| recommendation for beta-sinensal usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for beta-sinensal usage levels up to : |
| | 40.0000 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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| | (2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal
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| (EINECS) number : | 262-043-3 |
| chemidplus : | 060066888 |
| EPA Substance Registry Services : | 60066-88-8 |
references :
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| | (2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal
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| fl. number : | 05.178 |
| jecfa number : | 1227 |
| NIST Chemistry WebBook : | 60066888 |
| pubchem : | 198683 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |