3-Acetylbenzoic acid Structure

3-Acetylbenzoic acid

Chemical Properties

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)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
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  36/37/38
Safety Statements  37/39-26-36-24/25
WGK Germany  3
HazardClass  IRRITANT
HS Code  29183000
Storage Class 11 - Combustible Solids
NFPA 704:
0
2 0

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