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  • 2-Methylacetophenone
Name:2-Methylacetophenone
CAS No:577-16-2

PRODUCT DESCRIPTION

【Name】
2'-Methylacetophenone
【CAS Registry number】
577-16-2
【Synonyms】
Acetophenone,2'-methyl- (8CI)
Acetophenone, o-methyl- (4CI)
1-(2-Methylphenyl)ethanone
1-(2-Tolyl)ethanone
1-(o-Tolyl)ethanone
2-Acetyltoluene
2-Methylphenylmethyl ketone
Methyl 2-methylphenyl ketone
Methylo-tolyl ketone
NSC 84233
o-Acetyltoluene
o-Methylacetophenone
2-methylacetophenone
【EINECS(EC#)】
209-408-5
【Molecular Formula】
C9H10O (Products with the same molecular formula)
【Molecular Weight】
134.1751
【Inchi】
InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
【InChIKey】
YXWWHNCQZBVZPV-UHFFFAOYSA-N
【Canonical SMILES】
CC1=CC=CC=C1C(=O)C
【MOL File】
577-16-2.mol

Chemical and Physical Properties

【Appearance】
clear colourless to light yellow liquid
【Density】
1.026
【Boiling Point】
214℃
【Refractive Index】
1.529-1.533
【Flash Point】
75℃
【Water】
insoluble in water
【Solubilities】
insoluble in water
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:134.1751 [g/mol]
Molecular Formula:C9H10O
XLogP3-AA:2
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:134.073165
MonoIsotopic Mass:134.073165
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Formal Charge:0
Complexity:129
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:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:6

Safety and Handling

【Safety Statements 】
S24/25
【Safety】

Safety Information of 2'-Methylacetophenone (CAS NO.577-16-2): 
Safety Statements:24/25
24/25:Avoid contact with skin and eyes
WGK Germany:3

【Specification】

 2'-Methylacetophenone , its CAS NO. is 577-16-2, the synonyms are 2-Acetyltoluene ; 2-Methylacetophenone ;  o-Acetyltoluene ; o-Methylacetophenone ; 2-Methylacetophenone ; Acetophenone, 2'-methyl- (8CI) ; Ethanone, 1-(2-methylphenyl)- (9CI) .

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