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4-Hexyloxybenzoic acid Structure

4-Hexyloxybenzoic acid

Chemical Properties

Melting point 105-153 °C(lit.)
Boiling point 323.46°C (rough estimate)
Density  1.0850 (rough estimate)
refractive index  1.4940 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  almost transparency in Methanol
form  powder to crystal
pka 4.49±0.10(Predicted)
color  White to Almost white
BRN  2210618
InChI InChI=1S/C13H18O3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)
InChIKey HBQUXMZZODHFMJ-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(OCCCCCC)C=C1
CAS DataBase Reference 1142-39-8(CAS DataBase Reference)
NIST Chemistry Reference 4-(Hexyloxy)benzoic acid(1142-39-8)
EPA Substance Registry System Benzoic acid, 4-(hexyloxy)- (1142-39-8)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  37/39-26
WGK Germany  3
TSCA  TSCA listed
HS Code  29189900

MSDS

Usage And Synthesis

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