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| IUPAC name : | (2E,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal |
| InChI : | InChI=1/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11+ |
| InChIKey : | PFSTYGCNVAVZBK-JQGMZEBDBE |
| SMILES : | C/C(=C\C\C=C(/C)\C=C)/CC\C=C(/C)\C=O |
| cas number : | 17909-77-2 |
| (EINECS) number : | 241-854-6 |
| fema number : | 3141 |
| coe number : | 10380 |
| fl. number : | 05.130 |
| molar refractivity : | 71.15 ± 0.3 cm3 |
| parachor : | 576.9 ± 4.0 cm3 |
| index of refraction : | 1.483 ± 0.02 |
| surface tension : | 28.9 ± 3.0 dyne/cm |
| density : | 0.877 ± 0.06 g/cm3 |
| polarizability : | 28.20 ± 0.5 10-24cm3 |
| XlogP : | 3.40 |
| 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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| Citrus and Allied Essences : | alpha-sinensal
21/22% ex tangerine (natural) |
| Fleurchem : | sinensal
natural |
organoleptics :
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| odor type : | citrus |
| odor strength : | medium |
odor description : at 100.00 %. | citrus orange mandarin |
properties :
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| appearence : | colorless clear liquid |
| assay : | 94.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 180.00 °C. @ 1.00 mm Hg
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| boiling point : | 100.00 °C. @ 0.10 mm Hg
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| flash point : | 316.00 °F. TCC ( 157.78 °C. )
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| logP (o/w) : | 4.95 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection.
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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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| recommendation for alpha-sinensal usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for alpha-sinensal usage levels up to : |
| | 40.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | (2E,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
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| (EINECS) number : | 241-854-6 |
| chemidplus : | 017909772 |
| EPA Substance Registry Services : | 17909-77-2 |
references :
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| | (2E,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
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| fl. number : | 05.130 |
| NIST Chemistry WebBook : | 2525549959 |
| pubchem : | 171251 |
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 |