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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | isobutyl 3-oxobutanoate |
| InChI : | InChI=1/C8H14O3/c1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3 |
| InChIKey : | ZYXNLVMBIHVDRH-UHFFFAOYAY |
| SMILES : | O=C(C)CC(=O)OCC(C)C |
| (EINECS) number : | 231-937-5 |
| cas number : | 7779-75-1 |
| fema number : | 2177 |
| coe number : | 242 |
| jecfa number : | 597 |
| fl. number : | 09.404 |
| molar refractivity : | 40.87 ± 0.3 cm3 |
| parachor : | 377.6 ± 4.0 cm3 |
| index of refraction : | 1.419 ± 0.02 |
| surface tension : | 29.8 ± 3.0 dyne/cm |
| density : | 0.979 ± 0.06 g/cm3 |
| polarizability : | 13.20 ± 0.5 10-24cm3 |
| xlogp : | 1.59 |
| molecular weight : | 158.1949600 |
| formula : | C8 H14 O3 |
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| fda reg : | 172.515 |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | sweet wine brandy fruity |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97000 - 0.97100 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.071 to 8.080
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| refractive index : | 1.42200 - 1.43200 @ 20.00 °C.
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| boiling point : | 196.00 °C. @ 760.00 mm Hg
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| boiling point : | 84.50 °C. @ 11.00 mm Hg
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| logp : | 1.60 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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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. ) : | 173.00 °F. TCC ( 78.33 °C. )
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| recommendation for isobutyl acetoacetate usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for isobutyl acetoacetate usage levels up to : |
| | 25.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 231-937-5 |
| chemidplus : | 007779751 |
| epa-srs : | 7779-75-1 |
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| other : | |
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| references : | |
| pubchem : | 204213 |
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