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Home> Encyclopedia > Hot Product Listed 4   > 4-Acetylbenzoic acid
586-89-0 structure

4-Acetylbenzoic acid

Iupac Name:4-acetylbenzoic acid
CAS No.:586-89-0
EINECS(EC#): 209-588-5
Molecular Weight:164.16
Molecular Formula:C9H8O3 (isomer)
Properties
Appearance
white to light yellow crystal powder
Density
1.229
Melting Point
206-210℃
Boiling Point
339.9 °C at 760 mmHg
Flash Point
173.6 °C
Solubility
soluble in water
Stability
Stable under normal temperatures and pressures.
HS Code
29183000
Storage temp
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.
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
Safety

Hazard Codes: IrritantXi
Risk Statements: 36/37/38-37/38-36 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R37/38:Irritating to respiratory system and skin. 
R36:Irritating to eyes.
Safety Statements: 37/39-26-36 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
HS Code: 29183000

Specification

 4-Acetylbenzoic acid (CAS NO.586-89-0) is also named as benzoic acid, 4-acetyl- ; 4-Acetyl-benzoic acid ; 4'-Carboxyacetohenone ; Acetophenone-4'-carboxylic acid ; Acetophenone-4-carboxylic acid . 4-Acetylbenzoic acid (CAS NO.586-89-0) is white to light yellow crystal powder.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:164.16g/mol
  • Molecular Formula:C9H8O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.6
  • Exact Mass:164.047
  • Monoisotopic Mass:164.047
  • Complexity:190
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:54.4A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAyCIAAAgCI AqDSCAACAAAkAAAIiAEACMgIJjKAFRCAcQAkwAEImYeIyPCOQAAAAAAAAACAAAAAAAAAAAAAAAAA AA==
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