ACETOPHENONE

PRODUCT IDENTIFICATION
CAS NO 98-86-2

ACETOPHENONE

EINECS NO. 202-708-7
FORMULA C6H5COCH3
MOL WT. 120.15
H.S. CODE 2914.30

TOXICITY

 Oral rat LD50: 815 mg/kg
SYNONYMS 1-Phenyl-1-ethanone; Acetylbenzene; Acétophénone;
Benzoylmethide; Acetophenon; Benzoyl methide; Hypnon; Hypnone; Methyl phenyl ketone; Phenyl methyl ketone; 1-Phenylethanone; Acetofenon; Acetyl benzene; Acetofenona;

SMILES

 c1(ccccc1)C(=O)C

CLASSIFICATION

 Dermatologic, Ketone, Solvent

EXTRA NOTES

 FEMA No. 2009
TSCA Flag T [Subject to the Section 4 test rule under TSCA] 

PHYSICAL AND CHEMICAL PROPERTIES
PHYSICAL STATE clear to light yellow liquid
MELTING POINT 19 - 20 C
BOILING POINT

198 - 204 C

SPECIFIC GRAVITY 1.03
SOLUBILITY IN WATER poor
SOLVENT SOLUBILITY Soluble in sulfuric acid and most organic solvents
VAPOR DENSITY 4.1

AUTOIGNITION

 571 C
pKa 21.55 (at 25 C)
log P 1.58 (Octanol-water)
VAPOR PRESSURE 0.397 (mmHg)
HENRY LAW CONSTANT 1.04E-05 (atm-m3/mole at 25 C)

NFPA RATINGS

 Health: 2 Flammability: 2 Reactivity: 0

REFRACTIVE INDEX

 1.5340
FLASH POINT

77 C

STABILITY Stable under ordinary conditions

EXTERNAL LINKS & GENERAL DESCRIPTION

Wikipedia Linking

Google Scholar Search

Drug Information Portal (U.S. National Library of Medicine) - Acetophenone

PubChem Compound Summary - Acetophenone

Drug Bank -  Acetophenone

KEGG (Kyoto Encyclopedia of Genes and Genomes) -  Acetophenone

http://www.ebi.ac.uk/ -  Acetophenone

http://www.ncbi.nlm.nih.gov/ -  Acetophenone

Human Metabolome Database - Acetophenone

Material Safety Data Sheet

Local:
Acetophenone, the simplest aromatic ketone, is a clear liquid or crystals; melting point 19 - 20 C; boiling point 202 C; very slightly soluble in water. Commercial acetophenone can be obtained from benzene with acetic anhydride or acetyl chloride by Friedel-Crafts process. It can be also obtained by air oxidation of ethylbenzene, as a by-product of cumene or from acrylonitrile. It is used as a polymerization catalyst for the manufacture of olefins. It is used as an intermediate for pharmaceuticals, agrochemicals and other organic compounds. It also has been used as a drug to induce sleep. Its is used in tear gas (especially as the form of chloro acetophenone) and warfare. It is used as an solvent for plastics, resins, cellulose ethers, and esters. The dimer (dipnone) is used as a plasticizer. Actophenone and its derivatives, having additionally substituted saturated alkyls, oxygenated alkyl groups, thio groups, additional aromatic groups, unsaturated aliphatic side chains, and other functional groups, are ingredients of flavor & fragrance for in soaps, detergents, cosmetics, and perfumes as well as in foods, beverages, and tobacco.

Members of aryl ketone

Systemic name

Common name

CAS RN

Phenyl ethyl ketone

 Propiophenone 93-55-0

Phenyl styryl ketone

 Chalcone 94-41-7

Phenyl methyl ketone

 Acetophenone 98-86-2
Diphenyl ketone Benzophenone 119-61-9
Phenyl phenacyl ketone Dibenzoylmethane 120-46-7

Phenyl o-tolyl ketone

 2-Methylbenzophenone 131-58-8

Phenyl p-tolyl ketone

 4-Methyl benzophenone 134-84-9
Phenyl 2-thienyl ketone Phenyl-2-thienylmethanone 135-00-2
Phenyl benzyl ketone Deoxybenzoin 451-40-1
Phenyl 1-propenyl ketone Crotonophenone 495-41-0
Phenyl propyl ketone Butyrophenone 495-40-9
Phenyl methyl diketone 1-Phenyl-1,2-propanedione 579-07-7

Phenyl trans-styryl ketone

 trans-Chalcone 614-47-1

Phenyl vinyl ketone

 2-Propenophenone 768-03-6
Phenyl phenethyl ketone Dihydrochalcone 1083-30-3

Phenyl xylyl ketone

 

 1322-78-7

Phenyl ethynyl ketone

 Propynophenone 3623-15-2
SALES SPECIFICATION

APPEARANCE

clear to light yellow liquid
PURITY

98.0% min

WATER

0.5% max

TRANSPORTATION
PACKING  
HAZARD CLASS  
UN NO.  
GENERAL DESCRIPTION OF KETONE
Ketone is a class of chemical compounds contain the carbonyl group in which the carbon atom is covalently bonded to an oxygen atom.

Carbonyl groups are: 

  • Aldehydes (X and Y = H; X = H, Y = alkyl or aryl)
  • Ketones (X and Y = alkyl or aryl)
  • Carboxylic acids (X = OH, Y = H, alkyl, or aryl)
  • Esters (X = O-alkyl or aryl; Y = H, alkyl, or aryl)
  • Amides (X = NH, N-alkyl, or N-aryl; Y = H, alkyl, or aryl)
  • Acid halides
  • Acid anhydrides
  • Lactones
  • Lactams

CARBONYL GROUP

Ketone has the general formula RCOR' where the groups R and R' may be the same or different, or incorporated into a ring (R and R' are alkyl, aryl, or heterocyclic radicals). The simplest example, R and R´ are methyl group, is acetone (also called 2-propanone, CH3COCH3) which is one of the most important ketones used in industry (low molecular weight ketones are general purpose solvents.) In the IUPAC system, the suffix -one is used to describe ketone with the numbering of the carbon atom at the end that gives the lower number. For example, CH3CH2COCH2CH2CH3 is named 3-hexanone because the whole chain contains six carbon atoms and the oxygen is connected to the third carbon from the lower number. There are aromatic ketones of which acetophenone and bezophenone are examples. Ketones can be made by the oxidation of secondary alcohols and the destructive distillation of certain salts of organic acids. In addition to as polar solvents, ketones are important intermediates in the syntheses of organic compounds such as alkoxides, hydroxyalkynes, imines, alcohols (primary, secondary as well as tertiary), acetals, thioacetals, phosphine oxides, geminal diols, hydrazones, organic sulfite and cyanohydrins.

SAFETY INFORMATION

HAZARD OVERVIEW

Combustible liquid. Harmful if swallowed. Irritating to eyes. May cause skin and respiratory tract irritation. Target Organs: None known

GHS

 
SIGNAL WORD

Warning

PICTOGRAMS

HAZARD STATEMENTS

H302-H319

P STATEMENTS

P301+ P312-P302 + P352-P305 + P351 + P338
EC DIRECTIVES

 
HAZARD CODES

RISK PHRASES

22-36

SAFETY PHRASES

26
PRICE INFORMATION