4-Methylbenzophenone

HCID 8652CAS 134-84-9

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc(C(=O)c2ccccc2)cc1
InChIKey: WXPWZZHELZEVPO-UHFFFAOYSA-N
Molecular formula: C14H12O
Average molar mass: 196.24 g/mol
Monoisotopic mass: 196.088815

Overview

structure in first source

Names & identifiers

Preferred name: 4-Methylbenzophenone
IUPAC: (4-methylphenyl)-phenylmethanone
English name: 4-Methylbenzophenone
Molecular formula: C14H12O
Molecular weight: 196.24

Names & synonyms

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

Show more names

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-

Database identifiers

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

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 207

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Benzophenones

SpringerMaterials PropertiesBoiling point

Physical Description · 2 items

Liquid; Large Crystals

Off-white crystalline powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 56.5 · 56.5-57 °C (lit.)
Boiling point: 326 °C · 326 °C (lit.)
Density: 0.9926 · 0.9926
vapor pressure: 0.059 Pa · 0.059Pa at 25℃
refractive index: 1.592 · 1.5920 (estimate)
Flash point: 143 °C · 143 °C
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Crystalline Powder or Crystals
color: White to beige
Odor: faint odor
Water Solubility: Insoluble in water.
Merck: 14 · 14,7317
BRN: 1909310 · 1909310
Major Application: cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal carepharmaceutical
Cosmetics Ingredients Functions: 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 DataBase Reference: 134 · 134-84-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 2 F68X17BM · B2F68X17BM
NIST Chemistry Reference: Methanone, (4-methylphenyl)phenyl-(134-84-9)
EPA Substance Registry System: 4 · 4-Methylbenzophenone (134-84-9)
UNSPSC Code: 77101502 · 77101502
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
target organs: Kidney,Liver
Hazard Codes: Xi
Risk Statements: 22 · 22-36/38-36/37/38
Safety Statements: 24 · 24/25-36-26
WGK Germany: 3 · 3
RTECS: 1750000 · DJ1750000
Hazard Note: Harmful/Irritant
TSCA: TSCA listed
HS Code: 29143990 · 29143990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 STOT · Aquatic Chronic 2STOT RE 2 Oral
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 5 items

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%)

Safety data

wgk: 3
tsca: TSCA listed
rtecs: DJ1750000
hs_code: 29143990
risk_code: 22-36/38-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Harmful/Irritant
safety_code: 24/25-36-26
Storage Class: 11 - Combustible Solids
target organs: Kidney,Liver
Hazard statements: H302-H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Aquatic Chronic 2STOT RE 2 Oral
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 700,000 - <850,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesFiller

General Manufacturing Information · 2 items

Printing and Related Support Activities

Methanone, (4-methylphenyl)phenyl-: ACTIVE

Applications · 4 items

Uses4-Methylbenzophenone is used as clear coatings for wood, plastic and metal, overprint varnish.

Uses4-Methylbenzophenone may be used as a reference standard for the determination of the analyte in breakfast cereals, paperboard food packaging and packed milk by various chromatography techniques.

UsesBenzophenone estrogenicity toxicity structure activity.

General Description4-Methylbenzophenone is a photo-initiator for printing inks, mainly applied to the cardboard boxes used for packing. It is reported to be a non-genotoxic carcinogen. However, it can contaminate foodstuffs when it comes in contact with the package contents.