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| IUPAC name : | [(2E)-3,7-dimethylocta-2,6-dienyl] 2,3-dimethylbut-2-enoate |
| InChI : | InChI=1/C16H26O2/c1-12(2)8-7-9-14(5)10-11-18-16(17)15(6)13(3)4/h8,10H,7,9,11H2,1-6H3/b14-10+ |
| InChIKey : | GLMOJOJHHPDUHX-GXDHUFHOBK |
| SMILES : | CC(=CCC/C(=C/COC(=O)C(=C(C)C)C)/C)C |
| cas number : | 10402-48-9 |
| (EINECS) number : | 233-870-7 |
| molar refractivity : | 77.49 ± 0.3 cm3 |
| parachor : | 639.8 ± 4.0 cm3 |
| index of refraction : | 1.473 ± 0.02 |
| surface tension : | 28.8 ± 3.0 dyne/cm |
| density : | 0.906 ± 0.06 g/cm3 |
| polarizability : | 30.72 ± 0.5 10-24cm3 |
| XlogP : | 4.30 |
| molecular weight : | 250.3764400 (IUPAC) (PT) (112) |
| formula : | C16 H26 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | fruity |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in dipropylene glycol. | sweet fruity tropical rose herbal rum Luebke, William tgsc, (1988) |
| odor sample from : | Fairmont Chemical Co. Inc. |
| substantivity : | 48 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 335.00 to 336.00 °C. @ 760.00 mm Hg
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| flash point : | 326.00 °F. TCC ( 163.33 °C. )
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| logP (o/w) : | 6.28 |
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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| Category : | information only not used for fragrances or flavors |
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| recommendation for geranyl methyl tiglate fragrance usage levels up to : |
| | not for fragrance use.
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| recommendation for geranyl methyl tiglate flavor usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
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| | [(2E)-3,7-dimethylocta-2,6-dienyl] 2,3-dimethylbut-2-enoate |
| (EINECS) number : | 233-870-7 |
| chemidplus : | 010402489 |
| EPA Substance Registry Services : | 10402-48-9 |
references :
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| | [(2E)-3,7-dimethylocta-2,6-dienyl] 2,3-dimethylbut-2-enoate |
| pubchem : | 659525 |
other :
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