2-Benzylbenzoic acid Structure

2-Benzylbenzoic acid

Chemical Properties

Melting point 112-115 °C(lit.)
Boiling point 312.08°C (rough estimate)
Density  1.1035 (rough estimate)
refractive index  1.6000 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO : ≥ 100 mg/mL (471.14 mM)
form  Solid
pka 4.13±0.36(Predicted)
color  White to off-white
InChI 1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChIKey FESDHLLVLYZNFY-UHFFFAOYSA-N
SMILES OC(=O)c1ccccc1Cc2ccccc2
FDA UNII XGQ9B53P0K
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H315-H319-H335
Precautionary statements P261-P305+P351+P338
Hazard Codes  Xi
WGK Germany  3
Hazard Note  Irritant
HS Code  2916399090
Storage Class 11 - Combustible Solids

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