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| IUPAC name : | ethyl 4-oxopentanoate |
| InChI : | InChI=1/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3 |
| InChIKey : | GMEONFUTDYJSNV-UHFFFAOYAC |
| SMILES : | CCOC(=O)CCC(=O)C |
| (EINECS) number : | 208-728-2 |
| cas number : | 539-88-8 |
| beilstein number : | 0507641 |
| fema number : | 2442 |
| coe number : | 373 |
| jecfa number : | 607 |
| fl. number : | 09.435 |
| molar refractivity : | 36.28 ± 0.3 cm3 |
| parachor : | 340.4 ± 4.0 cm3 |
| index of refraction : | 1.415 ± 0.02 |
| surface tension : | 30.6 ± 3.0 dyne/cm |
| density : | 0.996 ± 0.06 g/cm3 |
| polarizability : | 14.38 ± 0.5 10-24cm3 |
| xlogp : | 0.30 |
| molecular weight : | 144.1683800 |
| formula : | C7 H12 O3 |
| BioActivity Analysis : | 74477 |
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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 fruity floral berry green pineapple rhubarb |
| taste description³ : | at 40.00 ppm.
Fruity, green, waxy and melon |
| substantivity : | 4 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.00900 - 1.01400 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.396 to 8.437
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| refractive index : | 1.42000 - 1.42500 @ 20.00 °C.
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| boiling point : | 93.00 - 94.00 °C. @ 18.00 mm Hg
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| boiling point : | 105.00 °C. @ 24.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| logp : | 0.29 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Moreno, 1978f)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 470.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 195.00 °F. TCC ( 90.56 °C. )
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| recommendation for ethyl levulinate usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| recommendation for ethyl levulinate usage levels up to : |
| | 40.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 208-728-2 |
| rtecs : | OI1700000 for 539-88-8 |
| chemidplus : | 000539888 |
| epa-srs : | 539-88-8 |
| dtp/nci : | 8863 |
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| other : | |
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| references : | |
| pubchem : | 154186 |
| NIST Chemistry WebBook : | 1723643706 |
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| reference : | Mosciano, Gerard P&F 15, No. 1, 19, (1990)³ |