Grundinformationen
- CAS
4676-39-5- Standard-SMILES
CC(=O)Cc1ccc2c(c1)OCO2- InChIKey
XIYKRJLTYKUWAM-UHFFFAOYSA-N- Summenformel
- C10H10O3
- Durchschnittliche Molmasse
- 178,18 g/mol
- Monoisotopische Masse
- 178,06299418
Namen und Bezeichner
- Bevorzugter Name
- 3,4-Methylenedioxyphenyl-2-propanone
- IUPAC
- 1-(1,3-benzodioxol-5-yl)propan-2-one
- Lokaler Name
- 1-(1,3-Benzodioxol-5-yl)aceton
- Englischer Name
- Piperonyl methyl ketone
- Summenformel
- C10H10O3
- Molmasse
- 178.18
Namen und Synonyme
Methyl piperonyl ketone4676-39-53,4-Methylenedioxyphenyl-2-propanone5-Acetonyl-1,3-benzodioxole3,4-Methylenedioxybenzyl methyl ketone1-(1,3-Benzodioxol-5-yl)acetone2-Propanone, 1-(1,3-benzodioxol-5-yl)-1-(Acetonyl)-3,4-methylenedioxybenzenePNA80F81BT3,4-Methylenedioxyphenylpropan-2-oneNSC 166882-Propanone, (3,4-(methylenedioxy)phenyl)-
Weitere Namen anzeigen
PMK Oil3,4-METHYLENEDIOXYPHENYLACETONEPMK,PMK OilPiperonylactonePiperonyl methyl ketone(1,3-BENZODIOXOL-5-YL)ACETONE
EINECS 225-128-6NSC-16688AI3-30059DEA NO. 8502DTXSID401969362-Propanone, 1-(3,4-(methylenedioxy)phenyl)-5Acetonyl1,3benzodioxoleRefChem:486418
Datenbank-Bezeichner
- CAS
4676-39-5- PubChem CID
- 78407
- DTXSID
DTXSID40196936- UNII
- PNA80F81BT
- EC Number
- 225-128-6
- Nikkaji
- J62.793C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 35,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 202
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Other Aromatic Compounds
Physical DescriptionLiquid; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 87 · 87-88 °C
- Siedepunkt
- 270.41 °C · 270.41°C (rough estimate)
- Dichte
- 1 · 1,2 g/cm3
- Brechungsindex
- 1.537 · 1.5370 (estimate)
- Löslichkeit
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 25 mg/ml; Ethanol: 30 mg/ml; Methanol: 10 mg/ml; PBS (pH 7.2): 3 mg/ml
- CAS Datenbank
- 4676 · 4676-39-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H315 (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.
Gefahrenhinweise
Regulatory Information
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)
Other Safety InformationIMAP assessments - 2-Propanone, 1-(1,3-benzodioxol-5-yl)-: Human health tier I assessment
Hazards SummaryAn irritant; [Acros Organics MSDS] See Piperonyl isobutyrate, Piperonyl acetone, and 1'-Hydroxysafrole.
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315
Chemie und Industrie
Verwendung und Herstellung
DEA Listed Chemicals
3,4-Methylenedioxyphenyl-2-propanone
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)
Anwendungen
BeschreibungPiperonyl 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.
VerwendenMetabolite of 3,4-Methylenedioxyethylamphetamine (MDE) and 3,4-(Methylenedioxy)methamphetamine (MDMA).
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
13
Notizen zur Verbindung
Wird geladen…