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2438-05-3

Name 4-Propylbenzoic acid
CAS 2438-05-3
Molecular Formula C10H12O2
MDL Number MFCD00013996
Molecular Weight 164.2
MOL File 2438-05-3.mol
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Chemical Properties

Appearance white to yellow needles or crystalline powder
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
form  Needles or Crystalline Powder
pka 4.37±0.10(Predicted)
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)
NIST Chemistry Reference 4-N-propylbenzoic acid(2438-05-3)

Safety Data

Hazard Codes  Xi,Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
HS Code  29163990

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