α-Methylen-γ-butyrolacton
alpha-Methylene butyrolactone
Grundinformationen
- CAS
547-65-9- Standard-SMILES
C=C1CCOC1=O- InChIKey
GSLDEZOOOSBFGP-UHFFFAOYSA-N- Summenformel
- C5H6O2
- Durchschnittliche Molmasse
- 98,1 g/mol
- Monoisotopische Masse
- 98,03677943
Überblick
Alpha-methylene gamma-butyrolactone is a butan-4-olide having a methylene group at the 3-position. It has a role as an anti-ulcer drug and a gastrointestinal drug.
Namen und Bezeichner
- Bevorzugter Name
- alpha-Methylene butyrolactone
- IUPAC
- 3-methylideneoxolan-2-one
- Lokaler Name
- α-Methylen-γ-butyrolacton
- Englischer Name
- Tulipalin A
- Summenformel
- C5H6O2
- Molmasse
- 98.1
Namen und Synonyme
547-65-9alpha-Methylene-gamma-butyrolactoneTulipalin A3-methylideneoxolan-2-one3-Methylenedihydro-2(3H)-furanone3-methylenedihydrofuran-2(3H)-onealpha-Methylene butyrolactone2(3H)-Furanone, dihydro-3-methylene-Dihydro-3-methylene-2(3H)-furanoneSecurolidealpha-methylene gamma-butyrolactone.alpha.-Methylene butyrolactone
Weitere Namen anzeigen
α-methylene-γ-butyrolactoneTULIPANETulipalin2-METHYLENEBUTYROLACTONEα-Methylene-γ-butyrolactoneMBPD3-Methylenetetrahydrofuran-2-one
EINECS 208-931-6NSC 205367.alpha.-Methylene-.gamma.-butyrolactoneAI3-63021CHEBI:1041202-Methylenebutanolactone362Y256BOLTULIPALIN 98
Datenbank-Bezeichner
- CAS
547-65-9- PubChem CID
- 68352
- DTXSID
DTXSID2074663- ChEMBL
CHEMBL275748- ChEBI
CHEBI:104120- UNII
- 362Y256BOL
- EC Number
- 208-931-6
- Nikkaji
- J100.706H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 115
Physikochemische Eigenschaften
- Schmelzpunkt
- 25 °C · 25 °C (77 °F; 298 K)
- Siedepunkt
- 168 °C · 168 °C (334 °F; 441 K)
- Dichte
- 1.085 g/ml · 1.085 g/ml
- Brechungsindex
- 1.47 · 1.47
- Flammpunkt
- 90 °C · 90 °C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- water: soluble(lit.)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Yellow
- Wasserlöslichkeit
- water: soluble(lit.)
- Merck
- 14 · 14,6062
- BRN
- 107939 · 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 · 547-65-9(CAS DataBase Reference)
- NIST chemische Informationen
- «alpha»-Methylene-«gamma»-butyrolactone(547-65-9)
- EPA chemische Informationen
- 2 · 2(3H)-Furanone, dihydro-3-methylene- ( (547-65-9)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H226 (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.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- F
- 1-8-10
- wgk
- 3
- ridadr
- 1993
- hs_code
- 2934999090
- RTECS-Nr.
- LU3580400
- risk_code
- 42/43-52/53-10
- hazard_code
- Xn
- safety_code
- 23-36/37-61-45
- hazard_class
- 3.2
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Aquatic Chronic 3Flam. Liq. 3Skin Sens. 1
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.
Anwendungen
BeschreibungTulipalin 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.
VerwendenVery reactive Michael-acceptor; the α-methylene-γ-butyrolactone ring system exists in many natural products of biological interest
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Ergänzende Hinweise
DefinitionChEBI: A butan-4-olide having a methylene group at the 3-position.
Zugehörige Reaktionen
29
Notizen zur Verbindung
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