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  • Methanone,(2-methylphenyl)phenyl
Name:Methanone,(2-methylphenyl)phenyl
CAS No:131-58-8

PRODUCT DESCRIPTION

【Name】
Methanone,(2-methylphenyl)phenyl-
【Iupac name】
(2-methylphenyl)-phenylmethanone
【CAS Registry number】
131-58-8
【Synonyms】
Benzophenone,2-methyl- (6CI,7CI,8CI)
(2-Methylphenyl)phenylmethanone
(Phenyl)(o-tolyl)methanone
2-Methylbenzophenone
2-Methylphenyl phenyl ketone
NSC 67362
Phenyl 2-methylphenyl ketone
Phenyl 2-tolyl ketone
Phenyl o-tolylketone
Phenyl(2-tolyl)methanone
o-Benzoyltoluene
o-Methylbenzophenone
o-Tolyl phenyl ketone
【EINECS(EC#)】
205-032-0
【Molecular Formula】
C14H12 O (Products with the same molecular formula)
【Molecular Weight】
196.25
【Inchi】
InChI=1/C14H12O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10H,1H3
【InChIKey】
CKGKXGQVRVAKEA-UHFFFAOYSA-N
【Canonical SMILES】
CC1=CC=CC=C1C(=O)C2=CC=CC=C2
【MOL File】
131-58-8.mol

Chemical and Physical Properties

【Appearance】
Clear very slight yellow liquid.
【Density】
1.083
【Melting Point】
-18℃
【Boiling Point】
309-311℃
【Vapour】
0.000617mmHg at 25°C
【Refractive Index】
1.593-1.595
【Flash Point】
119°C
【Solubilities】
Insoluble
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Store in a cool, dry place. Store in a tightly closed container.
【Computed Properties】
Molecular Weight:196.24448 [g/mol]
Molecular Formula:C14H12O
XLogP3:3.1
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:2
Exact Mass:196.088815
MonoIsotopic Mass:196.088815
Topological Polar Surface Area:17.1
Heavy Atom Count:15
Formal Charge:0
Complexity:215
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
Feature 3D Acceptor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Safety Statements 】
S24/25
【Hazard Note】
Irritant
【Safety】

Hazard Codes of Methanone,(2-methylphenyl)phenyl- (CAS NO.131-58-8): IrritantXi 
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin. 
Safety Statements: 24/25-36-26 
S24/25: Avoid contact with skin and eyes. 
S36: Wear suitable protective clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
WGK Germany: 3
Hazard Note: Irritant

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