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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3,7-dimethyloct-7-enyl 2-methylpropanoate |
| InChI : | InChI=1/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h12-13H,1,6-10H2,2-5H3 |
| InChIKey : | KHCGLDOOFYZQKU-UHFFFAOYAI |
| SMILES : | CC(C)C(=O)OCCC(C)CCCC(=C)C |
| (EINECS) number : | 205-318-5 |
| cas number : | 138-23-8 |
| fema number : | 2983 |
| coe number : | 297 |
| jecfa number : | 74 |
| fl. number : | 09.940 |
| molar refractivity : | 68.16 ± 0.3 cm3 |
| parachor : | 593.8 ± 4.0 cm3 |
| index of refraction : | 1.439 ± 0.02 |
| surface tension : | 27.7 ± 3.0 dyne/cm |
| density : | 0.874 ± 0.06 g/cm3 |
| polarizability : | 27.02 ± 0.5 10-24cm3 |
| xlogp : | 4.60 |
| molecular weight : | 226.3550400 |
| formula : | C14 H26 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 natural red rose spicy fruity |
| substantivity : | 348 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 85.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88000 - 0.89000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.322 to 7.406
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| specific gravity : | 0.88100 - 0.89100 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.339 to 7.423
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| refractive index : | 1.44800 - 1.45300 @ 20.00 °C.
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| logp : | 5.17 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Moreno, 1975f)
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 0.03 (μg/capita/day) |
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for rhodinyl isobutyrate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for rhodinyl isobutyrate usage levels up to : |
| | 5.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 205-318-5 |
| chemidplus : | 000138238 |
| epa-srs : | 138-23-8 |
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| other : | |
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| references : | |
| jecfa number : | 74 |
| fl. number : | 09.940 |
| pubchem : | 197323 |
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