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α-Methylen-γ-butyrolacton
3-methylenedihydrofuran-2(3H)-one · ALPHA-METHYLENE-GAMMA-BUTYROLACTONE · α-methylene-γ-butyrolactone · TULIPANE · Tulipalin · 2-METHYLENEBUTYROLACTONE · 3-methylideneoxolan-2-one · MBPD
Identifikatoren & physikalische Daten
| CAS No. | 547-65-9 |
|---|---|
| Summenformel | C5H6O2 |
| Durchschnittliche Molmasse | 98,1 g/mol |
| Monoisotopische Masse | 98,03677943 g/mol |
| SMILES | C=C1CCOC1=O |
| InChIKey | GSLDEZOOOSBFGP-UHFFFAOYSA-N |
| PubChem CID | 68352 |
| ChEMBL | CHEMBL275748 |
| ChEBI | CHEBI:104120 |
| EC No. | 208-931-6 |
| DTXSID | DTXSID2074663 |
| Lokaler Name | α-Methylen-γ-butyrolacton |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 115 |
| Schmelzpunkt | <25 °C |
| Siedepunkt | 86-88 °C12 mm Hg(lit.) |
| Dichte | 1.119 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.472(lit.) |
| Flammpunkt | 99 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | water: soluble(lit.) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow or slightly pink |
| Merck | 14,6062 |
| BRN | 107939 |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN PROTECTING |
| InChI | 1S/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2 |
| InChIKey | GSLDEZOOOSBFGP-UHFFFAOYSA-N |
| SMILES | C=C1CCOC1=O |
| CAS Datenbank | 547-65-9(CAS DataBase Reference) |
| NIST chemische Informationen | «alpha»-Methylene-«gamma»-butyrolactone(547-65-9) |
| EPA chemische Informationen | 2(3H)-Furanone, dihydro-3-methylene- ( (547-65-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P272, P280, P302+P352, P303+P361+P353, P321, P333+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 1-8-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1993 |
| Zollcode | 29349990 |
| RTECS-Nr. | LU3580400 |
| R-Sätze (R) | 42/43-52/53-10 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 23-36/37-61-45 |
| Gefahrenklasse | 3.2Aquatic Chronic 3Flam. Liq. 3Skin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Beschreibung
Tulipalin A is an unsubstituted -methylene-butyrolaetone eontained in the sap of tulips, Alstroemeria spp. (Peruvian lily) and Erythronium (dog tooth violet, fawn-lily). Tulipalin B seems to have a weak capacities to sensitize.
Verwenden
Very reactive Michael-acceptor; the α-methylene-γ-butyrolactone ring system exists in many natural products of biological interest