Identifikatoren & physikalische Daten
| CAS No. | 110-74-7 |
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| Summenformel | C4H8O2 |
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| Durchschnittliche Molmasse | 88,11 g/mol |
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| Monoisotopische Masse | 88,05242949 g/mol |
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| SMILES | CCCOC=O |
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| InChIKey | KFNNIILCVOLYIR-UHFFFAOYSA-N |
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| PubChem CID | 8073 |
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| ChEMBL | CHEMBL2270393 |
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| ChEBI | CHEBI:173323 |
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| EC No. | 203-798-0 |
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| DTXSID | DTXSID3059391 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
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| Polarare Oberfläche (TPSA) | 26,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 6 |
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| Formalladung | 0 |
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| Komplexität | 34,5 |
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| Stoffklassen | Flammable agents - 3rd degree |
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| Solvents | Solvents -> Esters (<C12) |
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| SpringerMaterials Properties | Acentric factor |
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| LogP (Verteilungskoeffizient) | 0.83 |
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| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| Dichte | 0.895-0.9050.92868 g/cm3(Temp: 40 °C) |
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| Aromastoffe | EU Flavoring substances |
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| Löslichkeit | 22 mg/mL at 22 °Cmiscible with alcohol, ether, most organic solventssoluble in 1 ml in 45 ml water(in ethanol) |
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| Flammpunkt | 27 °F (NFPA, 2010) |
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| Siedepunkt | 80.00 to 82.00 °C. @ 760.00 mm Hg81-82 °C80.9 °C |
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| Schmelzpunkt | -92.9 °C |
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| Dampfdruck | 82.6 [mmHg] |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 3.6% (11 of 307) of reports.H225 (96.4%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
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| Regulatorische Informationen | Chemical: Formic acid, propyl esterPropyl formate: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
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| Weitere Sicherheitsinformationen | IMAP assessments - Formic acid, propyl ester: Human health tier I assessment |
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| DOT-Kennzeichnung | Flammable Liquid |
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| Brandgefahren | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
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| Gesundheitsgefahren | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· May cause toxic effects if inhaled or absorbed through skin. |
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| Gefahrenübersicht | Causes somnolence in oral lethal-dose studies of rats and mice[RTECS] Safe when used as a flavoring agent in food[JECFA] An eye and respiratory tract irritantInhalation may have narcotic effects[Alfa Aesar MSDS] See Ethyl formate. |
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| DOT-Nummer und Handbuch | 1281 129 |
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| Reaktive Gruppe | Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters |
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| Reactivity Alerts | Highly Flammable |
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