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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3,7-dimethylocta-2,6-dienyl 3-oxobutanoate |
| InChI : | InChI=1/C14H22O3/c1-11(2)6-5-7-12(3)8-9-17-14(16)10-13(4)15/h6,8H,5,7,9-10H2,1-4H3 |
| InChIKey : | RYILZWKGLGVPOC-UHFFFAOYAV |
| SMILES : | CC(=CCCC(=CCOC(=O)CC(=O)C)C)C |
| cas number : | 61759-64-6 |
| fema number : | 2510 |
| jecfa number : | |
| molar refractivity : | 68.51 ± 0.3 cm3 |
| parachor : | 585.7 ± 4.0 cm3 |
| index of refraction : | 1.466 ± 0.02 |
| surface tension : | 31.5 ± 3.0 dyne/cm |
| density : | 0.964 ± 0.06 g/cm3 |
| polarizability : | 27.16 ± 0.5 10-24cm3 |
| xlogp : | 3.30 |
| molecular weight : | 238.3226800 |
| formula : | C14 H22 O3 |
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| IUPAC name : | [(2E)-3,7-dimethylocta-2,6-dienyl] 3-oxobutanoate |
| InChI : | InChI=1/C14H22O3/c1-11(2)6-5-7-12(3)8-9-17-14(16)10-13(4)15/h6,8H,5,7,9-10H2,1-4H3/b12-8+ |
| InChIKey : | RYILZWKGLGVPOC-XYOKQWHBBD |
| SMILES : | CC(=CCC/C(=C/COC(=O)CC(=O)C)/C)C |
| (EINECS) number : | 233-101-5 |
| cas number : | 10032-00-5 |
| fema number : | 2510 |
| coe number : | 243 |
| jecfa number : | 599 |
| fl. number : | 09.405 |
| molar refractivity : | 68.51 ± 0.3 cm3 |
| parachor : | 585.7 ± 4.0 cm3 |
| index of refraction : | 1.466 ± 0.02 |
| surface tension : | 31.5 ± 3.0 dyne/cm |
| density : | 0.964 ± 0.06 g/cm3 |
| polarizability : | 27.16 ± 0.5 10-24cm3 |
| xlogp : | 3.30 |
| molecular weight : | 238.3226800 |
| formula : | C14 H22 O3 |
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| fda reg : | 172.515 |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet fruity winey fermented apple skin |
| properties : | |
| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95800 - 0.96600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.972 to 8.038
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| refractive index : | 1.42600 - 1.43300 @ 20.00 °C.
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| boiling point : | 127.00 - 129.00 °C. @ 22.00 mm Hg
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| logp : | 4.18 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Moreno, 1976k)
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | ND (μg/capita/day) |
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| flash point ( Deg. F. ) : | 291.00 °F. TCC ( 143.89 °C. )
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| recommendation for geranyl acetoacetate usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| recommendation for geranyl acetoacetate usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| chemidplus : | 61759-64-6 |
| epa-srs : | 61759-64-6 |
| dtp/nci : | 128125 |
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| (EINECS) number : | 233-101-5 |
| chemidplus : | 010032005 |
| epa-srs : | 10032-00-5 |
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| other : | |
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| references : | |
| pubchem : | 419539 |
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| pubchem : | 167630 |
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