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Allylpropionat
FEMA 2040 · ALLYL PROPIONATE · ALLYL PROPANOATE · C2H5C(O)OCH2CH=CH2 · Allyl n-propionate · 2-PROPENYL PROPANOATE · prop-2-enyl propanoate · ALLYL PROPIONATE 99+%
Identifikatoren & physikalische Daten
| CAS No. | 2408-20-0 |
|---|---|
| Summenformel | C6H10O2 |
| Durchschnittliche Molmasse | 114,14 g/mol |
| Monoisotopische Masse | 114,06807956 g/mol |
| SMILES | C=CCOC(=O)CC |
| InChIKey | XRFWKHVQMACVTA-UHFFFAOYSA-N |
| PubChem CID | 61319 |
| ChEBI | CHEBI:166457 |
| EC No. | 219-307-8 |
| DTXSID | DTXSID0047668 |
| Lokaler Name | Allylpropionat |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 86,5 |
| SpringerMaterials Properties | Optical coefficient |
| Duftstoffe | Fragrance Ingredient (Allyl propionate) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.914 (20 °C)0.913 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | (in ethanol)3.649g/L at 25℃ |
| Siedepunkt | 124.00 to 125.00 °C. @ 760.00 mm Hg122-123 °C123-125 °C(lit.) |
| Brechungsindex | 1.4105n20/D 1.41(lit.) |
| Physical Description | Colourless liquid with a sharp sour apple/apricot odour |
| Schmelzpunkt | 37.22°C (estimate) |
| Dampfdruck | 1.333hPa at -8.02℃ |
| FEMA | 2040 | ALLYL PROPIONATE |
| Flammpunkt | 77 °F |
| Geruch | at 10.00 % in dipropylene glycol. ethereal acrylate fruity wasabi ripe tropical ripe banana nut skin |
| Geruchsart | ethereal |
| JECFA Number | 1 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| LogP (Verteilungskoeffizient) | 1.71 at 25℃ |
| CAS Datenbank | 2408-20-0(CAS DataBase Reference) |
| EPA chemische Informationen | Propanoic acid, 2-propenyl ester (2408-20-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1564 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H301: Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Chemical: Propanoic acid, 2-propenyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)REACH registered substance: Allyl propionate (EC: 219-307-8)Propanoic acid, 2-propenyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Aliphatic allyl esters: Human health tier II assessment |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Acute toxicity (ingestion) - category 3 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3272 3/PG 3 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 16-26-36 |
Herstellung & Synthese
synthetische
By direct esterification of the acid with allyl alcohol in benzene solution in the presence of concentrated H2SO4, or of p-toluene sulfonic acid.