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| IUPAC name : | [(2E)-3,7-dimethylocta-2,6-dienyl] butanoate |
| InChI : | InChI=1/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+ |
| InChIKey : | ZSBOMYJPSRFZAL-JLHYYAGUBZ |
| SMILES : | CCCC(=O)OC\C=C(/C)\CCC=C(C)C |
| (EINECS) number : | 203-381-3 |
| cas number : | 106-29-6 |
| fema number : | 2512 |
| coe number : | 274 |
| jecfa number : | 66 |
| fl. number : | 09.048 |
| molar refractivity : | 68.48 ± 0.3 cm3 |
| parachor : | 580.6 ± 4.0 cm3 |
| index of refraction : | 1.460 ± 0.02 |
| surface tension : | 29.1 ± 3.0 dyne/cm |
| density : | 0.897 ± 0.06 g/cm3 |
| polarizability : | 27.14 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 224.3391600 |
| formula : | C14 H24 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 %. | sweet fresh fruity rose waxy raspberry |
| taste description³ : | at 5.00 ppm.
Sweet, fruity, green, slightly floral, with a lingering tropical fruity after taste |
| substantivity : | 88 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.89000 - 0.89800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.406 to 7.472
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| specific gravity : | 0.89100 - 0.89900 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.423 to 7.489
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| refractive index : | 1.45500 - 1.46000 @ 20.00 °C.
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| boiling point : | 151.00 - 153.00 °C. @ 18.00 mm Hg
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| boiling point : | 252.00 - 253.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 5.17 |
| safety : | |
| Oral Toxicity(LD50) : |
Gavage-Rat [sex: M/F] 10660.00 mg/kg (Jenner et al., 1964)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 5.00 gm/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 52.00 (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 butyrate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for geranyl butyrate usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 203-381-3 |
| rtecs : | ES9990000 for 106-29-6 |
| chemidplus : | 000106296 |
| epa-srs : | 106-29-6 |
| dtp/nci : | 70177 |
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| other : | |
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| references : | |
| jecfa number : | 66 |
| fl. number : | 09.048 |
| pubchem : | 150890 |
| NIST Chemistry WebBook : | 302891022 |
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| reference : | Mosciano, Gerard P&F 26, No. 1, 52, (2001)³ |