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1-(1,3-Benzodioxol-5-yl)aceton
PMK Oil · METHYL PIPERONYL KETONE · 3,4-METHYLENEDIOXYPHENYLACETONE · NSC 16688 · PMK,PMK Oil · Piperonylactone · Piperonyl methyl ketone · 5-Acetonyl-1,3-benzodioxole
Identifikatoren & physikalische Daten
| CAS No. | 4676-39-5 |
|---|---|
| Summenformel | C10H10O3 |
| Durchschnittliche Molmasse | 178,18 g/mol |
| Monoisotopische Masse | 178,06299418 g/mol |
| SMILES | CC(=O)Cc1ccc2c(c1)OCO2 |
| InChIKey | XIYKRJLTYKUWAM-UHFFFAOYSA-N |
| PubChem CID | 78407 |
| EC No. | 225-128-6 |
| DTXSID | DTXSID40196936 |
| Lokaler Name | 1-(1,3-Benzodioxol-5-yl)aceton |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 202 |
| Stoffklassen | Other Classes -> Other Aromatic Compounds |
| Physical Description | Liquid[Acros Organics MSDS] |
| Schmelzpunkt | 87-88 °C |
| Siedepunkt | 270.41°C (rough estimate) |
| Dichte | 1,2 g/cm3 |
| Brechungsindex | 1.5370 (estimate) |
| Löslichkeit | DMF: 30 mg/mlDMSO: 25 mg/mlEthanol: 30 mg/mlMethanol: 10 mg/mlPBS (pH 7.2): 3 mg/ml |
| CAS Datenbank | 4676-39-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Propanone, 1-(1,3-benzodioxol-5-yl)-List I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02) |
| Weitere Sicherheitsinformationen | IMAP assessments - 2-Propanone, 1-(1,3-benzodioxol-5-yl)-: Human health tier I assessment |
| Gefahrenübersicht | An irritant[Acros Organics MSDS] See Piperonyl isobutyrate, Piperonyl acetone, and 1'-Hydroxysafrole. |
| Hazard Classes and Categories | Skin Irrit. 2 (66.7%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
Anwendungen & Verwendung
Beschreibung
Piperonyl methyl ketone (Item No. 13892) is an analytical reference standard categorized as a precursor in the synthesis of methylenedioxy phenethylamines and amphetamines, including 3,4-MDMA (Item Nos. ISO60190 | 13971). Piperonyl methyl ketone is also a potential impurity found in illicit preparations of methylenedioxy phenethylamines. This product is intended for research and forensic applications.
Verwenden
Metabolite of 3,4-Methylenedioxyethylamphetamine (MDE) and 3,4-(Methylenedioxy)methamphetamine (MDMA).