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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | [(3E)-3,7-dimethylocta-3,6-dienyl] 3-methylbutanoate |
| InChI : | InChI=1/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7-8,13H,6,9-11H2,1-5H3/b14-8+ |
| InChIKey : | BBEADJUJSGDTDD-RIYZIHGNBJ |
| SMILES : | CC(C)CC(=O)OCC/C(=C/CC=C(C)C)/C |
| (EINECS) number : | 203-655-2 |
| cas number : | 109-20-6 |
| fema number : | 2518 |
| coe number : | 448 |
| jecfa number : | 75 |
| fl. number : | 09.453 |
| molar refractivity : | 73.07 ± 0.3 cm3 |
| parachor : | 617.8 ± 4.0 cm3 |
| index of refraction : | 1.459 ± 0.02 |
| surface tension : | 28.7 ± 3.0 dyne/cm |
| density : | 0.893 ± 0.06 g/cm3 |
| polarizability : | 28.96 ± 0.5 10-24cm3 |
| xlogp : | 4.60 |
| molecular weight : | 238.3657400 |
| formula : | C15 H26 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | green fruity apple blueberry pineapple |
| taste description³ : | at 15.00 ppm.
Green, fruity, oily, herbal and melon-like |
| properties : | |
| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88600 - 0.89200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.372 to 7.422
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| refractive index : | 1.45600 - 1.46200 @ 20.00 °C.
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| boiling point : | 145.00 °C. @ 15.00 mm Hg
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| boiling point : | 276.00 - 277.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 5.47 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 5000.00 mg/kg (Levenstein, 1975a)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 41.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for geranyl isovalerate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for geranyl isovalerate usage levels up to : |
| | 15.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 203-655-2 |
| rtecs : | RG5927700 for 109-20-6 |
| chemidplus : | 000109206 |
| epa-srs : | 109-20-6 |
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| other : | |
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| references : | |
| pubchem : | 151096 |
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| reference : | Mosciano, Gerard P&F 20, No. 2, 37, (1995)³ |