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6-Phenylhexanoic acid Structure

6-Phenylhexanoic acid

Chemical Properties

Melting point 17-19°C
Boiling point 201-202 °C24 mm Hg(lit.)
Density  1.022 g/mL at 25 °C(lit.)
refractive index  n20/D 1.51(lit.)
Flash point >230 °F
storage temp.  Store at room temperature
solubility  Difficult to mix.
pka 4.78±0.10(Predicted)
form  Solid
color  White
Water Solubility  479.8mg/L(30 ºC)
BRN  1950106
InChI InChI=1S/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14)
InChIKey JTXZPQIXIXYMDY-UHFFFAOYSA-N
SMILES C1(CCCCCC(O)=O)=CC=CC=C1
CAS DataBase Reference 5581-75-9(CAS DataBase Reference)
FDA UNII 43U2R7T4EC
UNSPSC Code 12352100
NACRES NA.22
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Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39
WGK Germany  3
Hazard Note  Irritant
HS Code  29163900
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
0
2 0

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