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| IUPAC name : | [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate |
| InChI : | InChI=1/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+ |
| InChIKey : | OGJYXQFXLSCKTP-UKTHLTGXBS |
| SMILES : | CC(C)C(=O)OC\C=C(/C)\CCC=C(C)C |
| (EINECS) number : | 219-062-7 |
| cas number : | 2345-26-8 |
| fema number : | 2513 |
| coe number : | 306 |
| jecfa number : | 72 |
| fl. number : | 09.431 |
| molar refractivity : | 68.44 ± 0.3 cm3 |
| parachor : | 578.0 ± 4.0 cm3 |
| index of refraction : | 1.459 ± 0.02 |
| surface tension : | 28.4 ± 3.0 dyne/cm |
| density : | 0.896 ± 0.06 g/cm3 |
| polarizability : | 27.13 ± 0.5 10-24cm3 |
| xlogp : | 3.80 |
| molecular weight : | 224.3391600 |
| formula : | C14 H24 O2 |
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| IUPAC name : | [(2Z)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate |
| InChI : | InChI=1/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9- |
| InChIKey : | OGJYXQFXLSCKTP-LCYFTJDEBG |
| SMILES : | CC(C)C(=O)OC\C=C(\C)/CCC=C(C)C |
| (EINECS) number : | 219-061-1 |
| cas number : | 2345-24-6 |
| fema number : | 2775 |
| coe number : | 299 |
| jecfa number : | 73 |
| fl. number : | 09.424 |
| molar refractivity : | 68.44 ± 0.3 cm3 |
| parachor : | 578.0 ± 4.0 cm3 |
| index of refraction : | 1.459 ± 0.02 |
| surface tension : | 28.4 ± 3.0 dyne/cm |
| density : | 0.896 ± 0.06 g/cm3 |
| polarizability : | 27.13 ± 0.5 10-24cm3 |
| xlogp : | 3.80 |
| molecular weight : | 224.3391600 |
| formula : | C14 H24 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | sweet floral fruity green peach apricot rose |
| taste description³ : | at 30.00 ppm. Sweet, floral and citrus with fruity nuances |
| substantivity : | 20 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88400 - 0.89200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.356 to 7.422
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| specific gravity : | 0.88500 - 0.89300 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.373 to 7.439
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| refractive index : | 1.45100 - 1.45600 @ 20.00 °C.
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| boiling point : | 135.00 °C. @ 13.00 mm Hg
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| boiling point : | 245.00 °C. @ 760.00 mm Hg
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| logp : | 4.98 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Shelanski & Moldovan, 1973a
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 110.00 (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 isobutyrate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for geranyl isobutyrate usage levels up to : |
| | 30.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 219-062-7 |
| chemidplus : | 002345268 |
| epa-srs : | 2345-26-8 |
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| (EINECS) number : | 219-061-1 |
| rtecs : | UA2468500 for 2345-24-6 |
| chemidplus : | 002345246 |
| epa-srs : | 2345-24-6 |
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| other : | |
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| references : | |
| pubchem : | 160083 |
| NIST Chemistry WebBook : | 2644918943 |
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| pubchem : | 197572 |
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| reference : | Mosciano, Gerard P&F 20, No. 1, 31, (1995)³ |