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| IUPAC name : | propyl formate |
| InChI : | InChI=1/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3 |
| InChIKey : | KFNNIILCVOLYIR-UHFFFAOYAC |
| SMILES : | CCCOC=O |
| cas number : | 110-74-7 |
| (EINECS) number : | 203-798-0 |
| eu annex : | 607-016-00-2 |
| beilstein number : | 1739272 |
| fema number : | 2943 |
| coe number : | 340 |
| jecfa number : | 117 |
| fl. number : | 09.073 |
| molar refractivity : | 22.51 ± 0.3 cm3 |
| parachor : | 219.8 ± 4.0 cm3 |
| index of refraction : | 1.375 ± 0.02 |
| surface tension : | 25.0 ± 3.0 dyne/cm |
| density : | 0.896 ± 0.06 g/cm3 |
| polarizability : | 8.92 ± 0.5 10-24cm3 |
| XlogP : | 0.80 |
| molecular weight : | 88.1051200 |
| formula : | C4 H8 O2 |
| NMR Predictor : | Predict |
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| IUPAC name : | propan-1-ol |
| InChI : | InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H3 |
| InChIKey : | BDERNNFJNOPAEC-UHFFFAOYAO |
| SMILES : | CCCO |
| cas number : | 71-23-8 |
| (EINECS) number : | 200-746-9 |
| eu annex : | 603-003-00-0 |
| beilstein number : | 1098242 |
| fema number : | 2928 |
| coe number : | 50 |
| jecfa number : | 82 |
| fl. number : | 02.002 |
| molar refractivity : | 17.48 ± 0.3 cm3 |
| parachor : | 168.2 ± 4.0 cm3 |
| index of refraction : | 1.379 ± 0.02 |
| surface tension : | 24.5 ± 3.0 dyne/cm |
| density : | 0.795 ± 0.06 g/cm3 |
| polarizability : | 6.93 ± 0.5 10-24cm3 |
| XlogP : | 0.30 |
| molecular weight : | 60.0950200 |
| formula : | C3 H8 O |
| BioActivity Analysis : | 48414931 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.13.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Cargill - Alfrebro : | n-PROPYL FORMATE
natural, Kosher |
| Fontarome : | PROPYL FORMATE
Odor: Fruity rum, ethereal |
| Frutarom : | PROPYL FORMATE
≥99.00%, NI, Kosher Odor: Alcoholic, Etheral, Fruity, Sweet |
| Grau Aromatics : | PROPYL-FORMATE
NI, Kosher |
| Inoue : | PROPYL FORMATE
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| Penta : | propyl formate
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| Sigma-Aldrich-SAFC : | Propyl formate
≥97%, Kosher Odor: berry; green; ethereal; sweet |
organoleptics :
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| odor type : | ethereal |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | sweet ethereal green rum fruity berry |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 to 100.00 %
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| additional assay information : | min 97% propyl formate + propyl alcohol |
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.90300 to 0.90900 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.523 to 7.573
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| refractive index : | 1.37500 to 1.38000 @ 20.00 °C.
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| melting point : | -93.00 to -92.00 °C. @ 760.00 mm Hg
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| boiling point : | 80.00 to 82.00 °C. @ 760.00 mm Hg
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| boiling point : | 28.00 to 29.00 °C. @ 100.00 mm Hg
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| vapor pressure : | 82.60000 mm/Hg @ 25.00 °C. |
| vapor density : | 3.00 ( Air = 1 ) |
| flash point : | 27.00 °F. TCC ( -2.78 °C. )
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| logP (o/w) : | 0.83 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 11 - Highly flammable. R 36/37 - Irritating to eyes and respiratory system. R 67 - Vapours may cause frowsiness and dizziness. S 02 - Keep out of the reach of children. S 09 - Keep container in a well-ventilated place. S 16 - Keep away from sources of ignition - No Smoking. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. 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 3980.00 mg/kg Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
Oral-Mouse 3400.00 mg/kg Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
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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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 5.00 (μg/capita/day) |
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| recommendation for propyl formate usage levels up to : |
| | not for fragrance use.
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| recommendation for propyl formate usage levels up to : |
| | 85.0000 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 |
| WISER : | UN 1281 |
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| WGK Germany : | 1 |
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| | propyl formate
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| (EINECS) number : | 203-798-0 |
| RTECS : | LR0175000 for 110-74-7 |
| chemidplus : | 000110747 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 110-74-7 |
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| | propan-1-ol
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| (EINECS) number : | 200-746-9 |
| RTECS : | UH8225000 for 71-23-8 |
| chemidplus : | 000071238 |
| EPA Substance Registry Services : | 71-23-8 |
| dtp/nci : | 30300 |
references :
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| | propyl formate
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| fl. number : | 09.073 |
| jecfa number : | 117 |
| NIST Chemistry WebBook : | 675392343 |
| pubchem : | 151193 |
| | propan-1-ol
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| fl. number : | 02.002 |
| jecfa number : | 82 |
| pubchem : | 149205 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |