586-89-0

Name 4-Acetylbenzoic acid
CAS 586-89-0
EINECS(EC#) 209-588-5
Molecular Formula C9H8O3
MDL Number MFCD00002561
Molecular Weight 164.16
MOL File 586-89-0.mol
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Chemical Properties

Appearance White to light yellow crystal powder
Melting point  208-210 °C(lit.)
Boiling point  251.61°C (rough estimate)
density  1.2132 (rough estimate)
refractive index  1.5380 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Crystals or Crystalline Powder
pka pK1: 3.70 (25°C)
color  White
Water Solubility  soluble
Detection Methods T,NMR
BRN  2207355
InChI InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)
InChIKey QBHDSQZASIBAAI-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(C(C)=O)C=C1
CAS DataBase Reference 586-89-0(CAS DataBase Reference)
NIST Chemistry Reference 4-Acetylbenzoic acid(586-89-0)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H335-H315-H319
Precautionary statements  P280g-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R37/38:Irritating to respiratory system and skin .
R36:Irritating to the eyes.
Safety Statements 
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
Storage Class 11 - Combustible Solids

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