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
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
| Publication Number | Title | Priority Date |
|---|---|---|
| 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 |
