2-Phenylisobutyric acid Structure

2-Phenylisobutyric acid

Chemical Properties

Melting point 80-82°C
Boiling point 146.5°C
Density  1.089±0.06 g/cm3(Predicted)
Flash point 146.5°C
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
pka 4.39±0.10(Predicted)
form  Crystalline
color  White
Water Solubility  Insoluble in water.
InChI InChI=1S/C10H12O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)
InChIKey YYEROYLAYAVZNW-UHFFFAOYSA-N
SMILES C1(=CC=CC=C1)C(C)(C)C(=O)O
LogP 2.3 at 20℃
CAS DataBase Reference 826-55-1(CAS DataBase Reference)
FDA UNII DR8HUH2GYK
UNSPSC Code 12352106

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319
Precautionary statements P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Hazard Codes  Xi
Risk Statements  36/37/38-36/38
Safety Statements  26-36/37/39
WGK Germany  WGK 1
HS Code  2916399090
Storage Class 11 - Combustible Solids
NFPA 704:
0
2 0

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