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| IUPAC name : | ethyl pentanoate |
| InChI : | InChI=1/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3 |
| InChIKey : | ICMAFTSLXCXHRK-UHFFFAOYAC |
| SMILES : | CCCCC(=O)OCC |
| cas number : | 539-82-2 |
| (EINECS) number : | 208-726-1 |
| beilstein number : | 1744680 |
| fema number : | 2462 |
| coe number : | 465 |
| jecfa number : | 30 |
| fl. number : | 09.147 |
| molar refractivity : | 36.25 ± 0.3 cm3 |
| parachor : | 335.3 ± 4.0 cm3 |
| index of refraction : | 1.406 ± 0.02 |
| surface tension : | 26.6 ± 3.0 dyne/cm |
| density : | 0.882 ± 0.06 g/cm3 |
| polarizability : | 14.37 ± 0.5 10-24cm3 |
| XlogP : | 2.10 |
| molecular weight : | 130.1848600 |
| formula : | C7 H14 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.60.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Cargill - Alfrebro : | ETHYL VALERATE
natural, Kosher |
| Elan : | ethyl valerate
FCC, Kosher |
| Fontarome : | ETHYL N VALERATE
Odor: Fruity odor suggestive of apple |
| Grau Aromatics : | ETHYL-VALERATE
FCC, NI, Kosher |
| Inoue : | ETHYL VALERATE
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| Penta : | ethyl valerate
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| Sigma-Aldrich-SAFC : | Ethyl valerate
≥98%, FG, Kosher |
| Ungerer : | Ethyl Valerate
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organoleptics :
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| odor type : | fruity |
| odor strength : | high , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | sweet fruity apple pineapple green tropical |
| odor sample from : | Fritzsche Dodge & Olcott, Inc. |
| 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 : | No |
| specific gravity : | 0.87000 to 0.87500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.239 to 7.281
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| refractive index : | 1.39900 to 1.40400 @ 20.00 °C.
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| boiling point : | 144.00 to 145.00 °C. @ 760.00 mm Hg
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| boiling point : | 72.00 to 74.00 °C. @ 65.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 4.80000 mm/Hg @ 25.00 °C. |
| vapor density : | 4.4 ( Air = 1 ) |
| flash point : | 102.00 °F. TCC ( 38.89 °C. )
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| logP (o/w) : | 2.34 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 07/09 - Keep container tightly closed and in well-ventilated place. S 16 - Keep away from sources of ignition - No Smoking. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| Oral Toxicity(LD50) : |
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Not determined
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for ethyl valerate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for ethyl valerate usage levels up to : |
| | 260.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 3272 |
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| WGK Germany : | 3 |
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| | ethyl pentanoate
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| (EINECS) number : | 208-726-1 |
| chemidplus : | 000539822 |
| EPA Substance Registry Services : | 539-82-2 |
| dtp/nci : | 8868 |
references :
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| | ethyl pentanoate
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| fl. number : | 09.147 |
| jecfa number : | 30 |
| NIST Chemistry WebBook : | 1496401821 |
| pubchem : | 154185 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1985)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |