p-Methylpropiophenon

p-Methylpropiophenone

HCID 21429CAS 5337-93-9

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCC(=O)c1ccc(C)cc1
InChIKey: PATYHUUYADUHQS-UHFFFAOYSA-N
Summenformel: C10H12O
Durchschnittliche Molmasse: 148,2 g/mol
Monoisotopische Masse: 148,088815

Namen und Bezeichner

Bevorzugter Name: p-Methylpropiophenone
IUPAC: 1-(4-methylphenyl)propan-1-one
Lokaler Name: p-Methylpropiophenon
Englischer Name: 4'-Methylpropiophenone
Summenformel: C10H12O
Molmasse: 148.2

Namen und Synonyme

4'-Methylpropiophenone5337-93-91-(p-tolyl)propan-1-onep-Methylpropiophenone4-Methylpropiophenone1-(4-methylphenyl)propan-1-one1-Propanone, 1-(4-methylphenyl)-p-Tolyl ethyl ketoneNSC-8528490C17WABEINECS 226-267-5AI3-04217

Weitere Namen anzeigen

ETHYL-P-TOLYLKETON4-MethylpropiophenonLABOTEST-BB LT000530504-Methyl PropiphenoneP-Methyl phenylethylketoneEthyl 4-methylphenyl ketone1-(4-methylphenyl)-propan-1-one

CHEBI:59335PATYHUUYADUHQS-UHFFFAOYSA-DTXSID00201535NSC 852RefChem:858134DTXCID30124026226-267-5InChI=1/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

Datenbank-Bezeichner

CAS: 5337-93-9
PubChem CID: 21429
DTXSID: DTXSID00201535
ChEBI: CHEBI:59335
UNII: 8490C17WAB
EC Number: 226-267-5
Nikkaji: J30.886B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 132

Physikochemische Eigenschaften

Schmelzpunkt: 7.2 °C · 7.2 °C
Siedepunkt: 238 · 238-239 °C(lit.)
Dichte: 0.993 g/mL · 0.993 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.528(lit.)
Flammpunkt: 229 °F · 229 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Soluble in chloroform and hexane.
Aggregatzustand: Oil
Farbe: Colourless
Wichte: 0.99 · 0.99
BRN: 2042137 · 2042137
InChI: InChI=1S/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey: PATYHUUYADUHQS-UHFFFAOYSA-N
SMILES: C(C1=CC=C(C)C=C1)(=O)CC
CAS Datenbank: 5337 · 5337-93-9(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4'-Methylpropiophenone(5337-93-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H401 (66.7%): Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 1-Propanone, 1-(4-methylphenyl)-

Status: Active Update: 20-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17404

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)；Aquatic Acute 2 (66.7%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: 1-Propanone, 1-(4-methylphenyl)-

Status: Active Update: 20-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17404

Sicherheitsdaten

wgk: 3
hs_code: 29143990
safety_code: 24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

Verwenden4′-Methylpropiophenone is a chemical reagent used in electrocarboxylation reactions.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 4-methylpropiophenone is an aromatic ketone that is propiophenone bearing a methyl group at C-4. It derives from a propiophenone.