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  • 1-Propanone,1-(4-methylphenyl)
Name:1-Propanone,1-(4-methylphenyl)
CAS No:5337-93-9

PRODUCT DESCRIPTION

【Name】
1-Propanone,1-(4-methylphenyl)-
【Iupac name】
1-(4-methylphenyl)propan-1-one
【CAS Registry number】
5337-93-9
【Synonyms】
Propiophenone,4'-methyl- (6CI,7CI,8CI)
1-(4-Methylphenyl)-1-propanone
1-(4-Tolyl)-1-propanone
4'-Methylpropiophenone
Ethyl 4-methylphenyl ketone
Ethyl p-tolyl ketone
NSC 852
p-Methylpropiophenone
【EINECS(EC#)】
226-267-5
【Molecular Formula】
C10H12O (Products with the same molecular formula)
【Molecular Weight】
148.2
【Inchi】
InChI=1/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
【InChIKey】
PATYHUUYADUHQS-UHFFFAOYSA-N
【Canonical SMILES】
CCC(=O)C1=CC=C(C=C1)C
【MOL File】
5337-93-9.mol

Chemical and Physical Properties

【Appearance】
Light yellow liquid.
【Density】
0.993
【Melting Point】
7.2℃
【Boiling Point】
238-239℃
【Refractive Index】
1.526-1.529
【Flash Point】
96℃
【Solubilities】
Insoluble
【Stability】
No data.
【Storage temp】
Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.
【Computed Properties】
Molecular Weight:148.20168 [g/mol]
Molecular Formula:C10H12O
XLogP3:2.6
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:2
Tautomer Count:7
Exact Mass:148.088815
MonoIsotopic Mass:148.088815
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Formal Charge:0
Complexity:132
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 Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:9

Safety and Handling

【Safety Statements 】
S24/25

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