4-Methylbenzophenon

4-Methylbenzophenone

HCID 8652CAS 134-84-9

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Grundinformationen

Standard-SMILES: Cc1ccc(C(=O)c2ccccc2)cc1
InChIKey: WXPWZZHELZEVPO-UHFFFAOYSA-N
Summenformel: C14H12O
Durchschnittliche Molmasse: 196,24 g/mol
Monoisotopische Masse: 196,088815

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 4-Methylbenzophenone
IUPAC: (4-methylphenyl)-phenylmethanone
Lokaler Name: 4-Methylbenzophenon
Englischer Name: 4-Methylbenzophenone
Summenformel: C14H12O
Molmasse: 196.24

Namen und Synonyme

4-Methylbenzophenone134-84-9Methanone, (4-methylphenyl)phenyl-DTXSID9037741B2F68X17BMDTXCID7017741NSC-4898RefChem:99849205-159-1phenyl(p-tolyl)methanonep-Methylbenzophenone(4-Methylphenyl)(phenyl)methanone

Weitere Namen anzeigen

4-methybenzophenoneAPi-MBPNSC 4898YF-PI MBPusafdo-54USAF DO-54IHT-PI MBP

Phenyl p-tolyl ketonep-Benzoyltoluene4-Methyl benzophenone(4-methylphenyl)-phenylmethanone4-benzoyltoluenep-Benzophenone, methyl-MFCD00008553BENZOPHENONE, 4-METHYL-

Datenbank-Bezeichner

CAS: 134-84-9
PubChem CID: 8652
DTXSID: DTXSID9037741
ChEMBL: CHEMBL371531
UNII: B2F68X17BM
EC Number: 205-159-1
Nikkaji: J5.600F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 207

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Benzophenones

SpringerMaterials PropertiesBoiling point

Physical Description · 2 Einträge

Liquid; Large Crystals

Off-white crystalline powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 56.5 · 56.5-57 °C (lit.)
Siedepunkt: 326 °C · 326 °C (lit.)
Dichte: 0.9926 · 0.9926
Dampfdruck: 0.059 Pa · 0.059Pa at 25℃
Brechungsindex: 1.592 · 1.5920 (estimate)
Flammpunkt: 143 °C · 143 °C
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Crystalline Powder or Crystals
Farbe: White to beige
Geruch (Odor): faint odor
Wasserlöslichkeit: Insoluble in water.
Merck: 14 · 14,7317
BRN: 1909310 · 1909310
Major Application: cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal carepharmaceutical
Kosmetik-Inhaltsstoffe Funktionen: LIGHT STABILIZER
InChI: 1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey: WXPWZZHELZEVPO-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)C(=O)c2ccccc2
LogP: 3.69 at · 3.69 at 25℃
CAS Datenbank: 134 · 134-84-9(CAS DataBase Reference)
NIST chemische Informationen: Methanone, (4-methylphenyl)phenyl-(134-84-9)
EPA chemische Informationen: 4 · 4-Methylbenzophenone (134-84-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 76.4% (2135 of 2794) of all reports.

Warning

H302 (15.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2794 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: 4-methylbenzophenone

Regulation (EC) No 178/2002 (amended)

Methanone, (4-methylphenyl)phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, (4-methylphenyl)phenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 08-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21484

Methanone, (4-methylphenyl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 250 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (15.8%)