586-42-5

Name 3-ACETYLBENZOIC ACID
CAS 586-42-5
Molecular Formula C9H8O3
MDL Number MFCD00045847
Molecular Weight 164.16
MOL File 586-42-5.mol
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Chemical Properties

Appearance white to light brown crystalline powder
Melting point  163-171 °C
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  soluble in Methanol
form  Crystalline Powder
pka pK1: 3.83 (25°C)
color  White to light brown
InChI InChI=1S/C9H8O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H,11,12)
InChIKey CHZPJUSFUDUEMZ-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC(C(C)=O)=C1
CAS DataBase Reference 586-42-5(CAS DataBase Reference)

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 .
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
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29183000
Storage Class 11 - Combustible Solids

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