4-Methylbenzophenone - CAS 134-84-9

Catalog:	BB008026
Product Name:	4-Methylbenzophenone
CAS:	134-84-9
Synonyms:	(4-methylphenyl)-phenylmethanone; (4-methylphenyl)-phenylmethanone
Application:	This product is suitable for scientific research.

Technical Data

IUPAC Name:	(4-methylphenyl)-phenylmethanone
Description:	Benzophenone estrogenicity toxicity structure activity.
Molecular Weight:	196.24
Molecular Formula:	C14H12O
Canonical SMILES:	CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI:	InChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:	WXPWZZHELZEVPO-UHFFFAOYSA-N
Boiling Point:	326 °C (lit.)
Melting Point:	56.5-57 °C (lit.)
Flash Point:	>235.4 °F
Purity:	99 %
Density:	1.067 g/cm³
Appearance:	Powder or crystals
Storage:	2-8 °C
MDL:	MFCD00008553
LogP:	3.22600
Quality Standard:	100
Refractive Index:	n20/D 1.597 (lit.)
Stability:	Stable under normal temperatures and pressures.
Vapor Pressure:	0.000413mmHg at 25°C

GHS Hazard Statement:	H302 (86.13%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P305+P351+P338, P314, P330, P337+P313, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
21847975	20110501	[Determination of photoinitiators in printing inks used in food contact materials]	Se pu = Chinese journal of chromatography
21238557	20110325	4-Methylbenzophenone and benzophenone are inactive in the micronucleus assay	Toxicology letters
20640959	20101001	Rapid multi-analyte quantification of benzophenone, 4-methylbenzophenone and related derivatives from paperboard food packaging	Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment
20172097	20100317	Analysis of benzophenone and 4-methylbenzophenone in breakfast cereals using ultrasonic extraction in combination with gas chromatography-tandem mass spectrometry (GC-MS(n))	Analytica chimica acta
16183274	20051201	Nonsteroidal anti-inflammatory drugs and their analogues as inhibitors of aldo-keto reductase AKR1C3: new lead compounds for the development of anticancer agents	Bioorganic & medicinal chemistry letters

Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.088815002
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.088815002
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8