4-Methylbenzophenone

Product Information

Molecular Formula:
C14H12O
Molecular Weight:
196.24
Description
Benzophenone estrogenicity toxicity structure activity.
Synonyms
(4-methylphenyl)-phenylmethanone; (4-methylphenyl)-phenylmethanone
IUPAC Name
(4-methylphenyl)-phenylmethanone
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
Application
This product is suitable for scientific research.
Storage
2-8 °C
Refractive Index
n20/D 1.597 (lit.)
Stability
Stable under normal temperatures and pressures.
LogP
3.22600
Vapor Pressure
0.000413mmHg at 25°C

Safety Information

Precautionary Statement
P260, P264, P270, P280, P301+P312, P305+P351+P338, P314, P330, P337+P313, and P501
Signal Word
Warning

Computed Properties

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

Patents

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CN-114058198-A Composition for packaging OLED, packaging film layer and OLED display 2022-01-07
CN-113980189-A Polyester acrylic acid weather-resistant pressure-sensitive adhesive and preparation method thereof 2021-12-17
CN-114181231-A Multi-sulfhydryl compound and preparation method thereof 2021-12-16
CN-114182272-A Preparation method of alcohol/pinacol derivative 2021-12-09
CN-113861854-A Adhesive film for image display device and image display device 2021-12-08
CN-114149755-A LED packaging adhesive film, application of LED packaging adhesive film and LED packaging structure 2021-12-07
CN-114015053-A Ultraviolet curing organic silicon release agent 2021-12-03
CN-114057790-A Preparation method of vitamin A triphenylphosphine salt with high all-trans isomer content 2021-11-18
CN-113975182-A Antibacterial tooth filling material and preparation method thereof 2021-11-17
CN-113896694-A Polyfunctional group hybrid epoxy compound and photo-thermal dual-curing resin composition as well as preparation method and application thereof 2021-11-16

Literatures

PMID Publication Date Title Journal
21847975 2011-05-01 [Determination of photoinitiators in printing inks used in food contact materials] Se pu = Chinese journal of chromatography
21238557 2011-03-25 4-Methylbenzophenone and benzophenone are inactive in the micronucleus assay Toxicology letters
20640959 2010-10-01 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 2010-03-17 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 2005-12-01 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
16833934 2005-07-14 C-O bond cleavage of benzophenone substituted by 4-CH2OR (R = C6H5 and CH3) with stepwise two-photon excitation The journal of physical chemistry. A
16833700 2005-05-05 Photoinduced omega-bond dissociation in the higher excited singlet (S2) and lowest triplet (T1) states of a benzophenone derivative in solution The journal of physical chemistry. A
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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