4-Propylbenzoic acid Structure

4-Propylbenzoic acid

Chemical Properties

Melting point 142-144 °C (lit.)
Boiling point 288.61°C (estimate)
Density  1.0670 (estimate)
refractive index  1.5198 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  very faint turbidity in Methanol
pka 4.37±0.10(Predicted)
form  Needles or Crystalline Powder
color  White to yellow
BRN  1934550
InChI InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)
InChIKey ATZHGRNFEFVDDJ-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(CCC)C=C1
CAS DataBase Reference 2438-05-3(CAS DataBase Reference)
FDA UNII 3P1V85E45O
NIST Chemistry Reference 4-N-propylbenzoic acid(2438-05-3)
UNSPSC Code 12352100
NACRES NA.22
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi,Xn
Risk Statements  36/37/38-22
Safety Statements  26-37/39
WGK Germany  3
HS Code  29163990
Storage Class 11 - Combustible Solids
NFPA 704:
1
2 0

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