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| IUPAC name : | butyl propanoate |
| InChI : | InChI=1/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3 |
| InChIKey : | BTMVHUNTONAYDX-UHFFFAOYAE |
| SMILES : | CCCCOC(=O)CC |
| cas number : | 590-01-2 |
| (EINECS) number : | 209-669-5 |
| eu annex : | 607-029-00-3 |
| beilstein number : | 1700932 |
| fema number : | 2211 |
| coe number : | 405 |
| jecfa number : | 143 |
| fl. number : | 09.124 |
| 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 : | 1.80 |
| XlogP3 : | 2.10 |
| molecular weight : | 130.1848600 (IUPAC) |
| formula : | C7 H14 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.50.3000 |
| fda reg : | 172.515 |
Suppliers :
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| Advanced Biotech : | butyl propionate
98% min. natural Odor: Herbaceous, Fruity |
| Cargill - Alfrebro : | n-BUTYL PROPIONATE
natural, Kosher |
| Fontarome : | BUTYL PROPIONATE
Odor: Earthy, faintly sweet |
| Grau Aromatics : | BUTYL-PROPIONATE
NI, Kosher |
| Inoue : | BUTYL PROPIONATE
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| Mooreganics : | Butyl Propionate
Natural |
| Penta : | butyl propionate
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| Sigma-Aldrich-SAFC : | Butyl propionate
≥98%, Kosher Odor: banana; ethereal |
| Vigon : | Butyl Propionate
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description : at 100.00 %. | earthy sweet weak rose |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87500 @ 25.00 °C.
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| specific gravity : | 0.87950 to 0.88250 @ 15.00 °C.
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| pounds per gallon - calc. : | 7.333 to 7.358
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| refractive index : | 1.40200 @ 20.00 °C.
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| refractive index : | 1.40000 to 1.40200 @ 20.00 °C.
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| boiling point : | 145.00 °C. @ 756.00 mm Hg
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| boiling point : | 145.00 to 146.00 °C. @ 760.00 mm Hg
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| acid value : | 0.20 max. KOH/g
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| vapor pressure : | 4.42000 mm/Hg @ 25.00 °C. |
| vapor density : | 4.5 ( Air = 1 ) |
| flash point : | 101.00 °F. TCC ( 38.33 °C. )
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| logP (o/w) : | 2.34 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
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 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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Oral-Rat 5000.00 mg/kg Food and Cosmetics Toxicology. Vol. 18, Pg. 661, 1980.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >14000.00 mg/kg Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 192, 1992.
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 10.00 (μg/capita/day) |
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| recommendation for butyl propionate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for butyl propionate usage levels up to : |
| | 30.0000 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 |
| NIOSH International Chemical Safety Cards : | search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1914 |
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| WGK Germany : | 1 |
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| | butyl propanoate
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| (EINECS) number : | 209-669-5 |
| RTECS : | 590-01-2 |
| chemidplus : | 000590012 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 590-01-2 |
references :
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| | butyl propanoate
|
| fl. number : | 09.124 |
| jecfa number : | 143 |
| NIST Chemistry WebBook : | 2273899249 |
| pubchem : | 154833 |
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 |
| FDA Everything Added to Food in the United States (EAFUS) | View |