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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 |
| cas number : | 539-88-8 |
| (EINECS) number : | 208-728-2 |
| 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 (IUPAC) |
| formula : | C7 H12 O3 |
| BioActivity Analysis : | 74477 |
| NMR Predictor : | Predict |
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| export tariff code : | 2918.30.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Advanced Biotech : | ethyl levulinate
98% min. natural Odor: Apple, Pineapple, Rhubarb |
| Apple : | Ethyl levulinate
|
| Bedoukian Research : | ETHYL LEVULINATE
≥98.0%, FCC, Kosher Odor: An ethereal fruity odor with savory backnotes Blends well with beta-coronal and cashmeran. Good for melon, pear and smoky notes. Flavor: fruity Can be used in grape, apple, pineapple, fruit, rum, smoked-meat and gravy flavors. |
| Berje : | Ethyl Levulinate
|
| Elan : | ethyl levulinate
(natural), Kosher |
| Elan : | ethyl levulinate
FCC, Kosher |
| Fleurchem : | ethyl levulinate
natural |
| Grau Aromatics : | ETHYL-LEVULINATE
NI, Kosher |
| Penta : | ethyl levulinate
|
| SAFC Global® : | Ethyl levulinate
≥98%, FCC, FG Odor: apple; ethereal; pineapple; sweet; green |
| SAFC Global® : | Ethyl levulinate
98+%, natural, US, FCC Odor: apple; ethereal; pineapple; sweet; green |
| Vigon : | Ethyl Levulinate
FCC |
organoleptics :
|
| odor type : | fruity |
| odor strength : | medium |
odor description: at 100.00 %. | sweet fruity floral berry green pineapple rhubarb Luebke, William tgsc, (1995) |
| odor sample from : | J. Manheimer, Inc. |
odor description:
| Fruity, green, melon-like with waxy notes Mosciano, Gerard P&F 15, No. 1, 19, (1990) |
taste description: at 40.00 ppm. | Fruity, green, waxy and melon Mosciano, Gerard P&F 15, No. 1, 19, (1990) |
| substantivity : | 4 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.00900 to 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 to 1.42500 @ 20.00 °C.
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| boiling point : | 93.00 to 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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| vapor pressure : | 0.10000 mm/Hg @ 20.00 °C. |
| vapor density : | >1 ( Air = 1 ) |
| flash point : | 195.00 °F. TCC ( 90.56 °C. )
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| logP (o/w) : | 0.29 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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| Human experience : | 4 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
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Oral-Rat >5000.00 mg/kg (Moreno, 1978f)
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit >5000.00 mg/kg
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 470.00 (μg/capita/day) |
| |
| recommendation for ethyl levulinate fragrance usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| recommendation for ethyl levulinate flavor usage levels up to : |
| | 40.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | ethyl 4-oxopentanoate |
| (EINECS) number : | 208-728-2 |
| RTECS : | OI1700000 for cas# 539-88-8 |
| chemidplus : | 000539888 |
| EPA Substance Registry Services : | 539-88-8 |
| dtp/nci : | 8863 |
references :
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| | ethyl 4-oxopentanoate |
| fl. number : | 09.435 |
| jecfa number : | 607 |
| NIST Chemistry WebBook : | 1723643706 |
| pubchem : | 154186 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |