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  • Propiophenone
Name:Propiophenone
CAS No:93-55-0

PRODUCT DESCRIPTION

【Name】
Propiophenone
【CAS Registry number】
93-55-0
【Synonyms】
1-Phenyl-1-propanone
Ethyl phenyl ketone
1-phenyl-1-propanon
1-phenyl-propan-1-one
1-phenylpropanone
1-phenylpropanone-1
1-Propanone,1-phenyl-
Ketone, ethyl phenyl
ketone,ethylphenyl
lithylphenyllwton
phenylpropone
Propionphenone
USAF ek-1235
usafek-1235
αthylenphenylketon
AKOS BBS-00003274
FEMA 3469
【EINECS(EC#)】
202-257-6
【Molecular Formula】
C9H10O (Products with the same molecular formula)
【Molecular Weight】
134.18
【Inchi】
InChI=1/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
【InChIKey】
KRIOVPPHQSLHCZ-UHFFFAOYSA-N
【MOL File】
93-55-0.mol

Chemical and Physical Properties

【Appearance】
colourless to light yellow liquid
【Density】
1.009
【Melting Point】
18℃
【Boiling Point】
218℃
【Refractive Index】
1.5248-1.5268
【Flash Point】
87℃
【Water】
INSOLUBLE
【Solubilities】
INSOLUBLE
【Color/Form】
WATER-WHITE TO LIGHT AMBER LIQ
LEAFLETS OR TABULAR CRYSTALS
【Stability】
Stable. Incompatible with strong oxidizing agents, strong bases.
【Spectral properties】
INDEX OF REFRACTION: 1.5290 @ 15.9 DEG C/D; 1.5269 @ 20 DEG C/D; MAX ABSORPTION (HEXANE): 250, 280, 323 NM
MAX ABSORPTION (HEXANE): 238 NM (LOG E= 4.06); 277 NM (LOG E= 2.94); SADTLER REFERENCE NUMBER: 272 (IR, PRISM)
IR: 94 (Sadtler Research Laboratories IR Grating Collection)
UV: 109 (Sadtler Research Laboratories Spectral Collection)
NMR: 34 (Sadtler Research Laboratories Spectral Collection)
MASS: 652 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York)
【Computed Properties】
Molecular Weight:134.1751 [g/mol]
Molecular Formula:C9H10O
XLogP3:2.2
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:2
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:112
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

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S36
【Skin, Eye, and Respiratory Irritations】
VAPORS ARE IRRITATING TO EYES & RESPIRATORY SYSTEM
【Fire Fighting Procedures】
FOAM, CARBON DIOXIDE, DRY CHEM.
【Fire Potential】
SLIGHT, WHEN EXPOSED TO HEAT OR FLAME. CAN REACT WITH OXIDIZING MATERIALS
【Other Preventative Measures】
ALL OPERATIONS INVOLVING USE OF KETONES SHOULD BE CONDUCTED IN WELL-VENTILATED CONDITIONS, EG BY PROVISION OF EFFICIENT EXHAUST VENTILATION. /KETONES/
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
【Protective Equipment and Clothing】
VAPORS ARE IRRITATING TO EYES & RESPIRATORY SYSTEM
【Octanol/Water Partition Coefficient】
Log Kow = 2.19
【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

PREPARED FROM PROPIONYL CHLORIDE AND BENZENE IN PRESENCE OF ANHYDROUS ALUMINUM CHLORIDE. NUMEROUS OTHER SYNTHESES. ... USUALLY SUPPLIED AS A LIQ.
From the Hock process for the production of phenol from isopropylbenzene; it is isolated from the residue of this process.
Oxidation of ethylbenzene with air or oxygen at 130 deg C and 0.5 MPa. Catalysts include cobalt salts or manganese salts of naphthenic or fatty acids.
【Usage】

Intermediates of Liquid Crystals

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