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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | butyl 3-oxobutanoate |
| InChI : | InChI=1/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3 |
| InChIKey : | REIYHFWZISXFKU-UHFFFAOYAN |
| SMILES : | CCCCOC(=O)CC(=O)C |
| (EINECS) number : | 209-722-2 |
| cas number : | 591-60-6 |
| beilstein number : | 1761408 |
| fema number : | 2176 |
| coe number : | 241 |
| jecfa number : | 596 |
| fl. number : | 09.403 |
| molar refractivity : | 40.91 ± 0.3 cm3 |
| parachor : | 380.2 ± 4.0 cm3 |
| index of refraction : | 1.421 ± 0.02 |
| surface tension : | 30.9 ± 3.0 dyne/cm |
| density : | 0.981 ± 0.06 g/cm3 |
| polarizability : | 16.22 ± 0.5 10-24cm3 |
| xlogp : | 1.60 |
| 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 fruity brandy fermented |
| properties : | |
| appearence : | colorless clear liquid |
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97610 @ 25.00 °C.
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| refractive index : | 1.42500 - 1.43500 @ 20.00 °C.
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| boiling point : | 100.00 - 103.00 °C. @ 16.00 mm Hg
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| boiling point : | 205.00 °C. @ 760.00 mm Hg
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| logp : | 0.78 |
| safety : | |
| Oral Toxicity(LD50) : |
Gavage-Rat [sex: F] 11260.00 mg/kg (Smyth et al., 1954)
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 63.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 175.00 °F. TCC ( 79.44 °C. )
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| recommendation for butyl acetoacetate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for butyl acetoacetate usage levels up to : |
| | 25.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 209-722-2 |
| chemidplus : | 000591606 |
| epa-srs : | 591-60-6 |
| dtp/nci : | 97211 |
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| other : | |
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| references : | |
| pubchem : | 154883 |
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