Acetophenone

Molecule structure of Acetophenone (CAS NO.98-86-2):

IUPAC Name: 1-Phenylethanone 
Molecular Weight: 120.14852 g/mol
Molecular Formula: C₈H₈O 
Density: 0.993 g/cm³ 
Melting Point: 19-20 °C(lit.)
Boiling Point: 202 °C at 760 mmHg 
Flash Point: 80.9 °C
Index of Refraction: 1.511
Molar Refractivity: 36.28 cm³
Molar Volume: 120.9 cm³
Polarizability: 14.38×10^-24 cm³
Surface Tension: 34.1 dyne/cm 
Enthalpy of Vaporization: 43.82 kJ/mol
Vapour Pressure: 0.299 mmHg at 25 °C 
Storage Temp.: 2-8 °C
Water Solubility: 5.5 g/L (20 °C)
XLogP3: 1.6
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 120.057515
MonoIsotopic Mass: 120.057515
Topological Polar Surface Area: 17.1
Heavy Atom Count: 9
Canonical SMILES: CC(=O)C1=CC=CC=C1
InChI: InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey: KWOLFJPFCHCOCG-UHFFFAOYSA-N
EINECS: 202-708-7
Product Categories: Pharmaceutical Intermediates; ACETYLGROUP; Organics; Functional Materials; Photopolymerization Initiators; ketone Flavor; AA to AL; A-BAlphabetic; Volatiles/ Semivolatiles; A; Alpha Sort; Alphabetic

 Acetophenone (CAS NO.98-86-2) is used as precursor to resins and styrene. It also is used in pharmaceutical and related areas. Acetophenone is a raw material for the synthesis of some pharmaceuticals. Acetophenone is used to create fragrances that resemble almond, cherry, honeysuckle, jasmine, and strawberry.

In industry, acetophenone is recovered as a by-product of the oxidation of ethylbenzene, which mainly gives ethylbenzene hydroperoxide for use in the production of propylene oxide.

Hazard Codes: Xn, T, F
Risk Statements: 22-36-63-43-36/37/38-23/24/25-45-39/23/24/25-11 
R22:Harmful if swallowed. 
R36:Irritating to eyes. 
R63:Possible risk of harm to the unborn child. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
R45:May cause cancer. 
R39:Danger of very serious irreversible effects. 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
R11:Highly flammable.
Safety Statements: 26-36/37-24/25-23-53-45-16-7 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37:Wear suitable protective clothing and gloves. 
S24/25:Avoid contact with skin and eyes. 
S23:Do not breathe vapour. 
S53:Avoid exposure - obtain special instructions before use. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S16:Keep away from sources of ignition. 
S7:Keep container tightly closed.
RIDADR: UN 1593 6.1/PG 3
WGK Germany: 1
RTECS: AM5250000
F: 8
HS Code: 29143900
Hazardous Substances Data: 98-86-2(Hazardous Substances Data)

 Acetophenone (CAS NO.98-86-2) is also named as 1-Phenyl-1-ethanone ; 1-Phenylethanone ; AI3-00575 ; Acetofenon ; Acetofenon [Czech] ; Acetophenon ; Acetylbenzene ; Acetylbenzol ; Benzene, acetyl- ; Benzoyl methide ; Benzoylmethide ; CCRIS 1341 ; Ethanone, 1-phenyl- ; FEMA No. 2009 ; FEMA Number 2009 ; HSDB 969 ; Hypnone ; Ketone, methyl phenyl ; Methyl phenyl ketone ; NSC 7635 ; Phenyl methyl ketone ; RCRA waste number U004 ; UNII-RK493WHV10 ; USAF EK-496 . Acetophenone (CAS NO.98-86-2) is yellow liquid with a sweet pungent taste. It is slightly soluble in water. Vapor heavier than air. A mild irritant to skin and eyes. Vapors can be narcotic in high concentrations. Acetophenone reacts with many acids and bases liberating heat and flammable gases (e.g., H₂). Reacts with many oxidizing agents. Reacts with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H₂) and heat. The amount of heat in these reactions may be sufficient to start a fire in the unreacted portion. It ia incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. No toxicity expected from inhalation or ingestion except slight narcotic effect. Liquid can cause eye and skin irritation on contact.