4286-15-1

Name (S)-(+)-2-PHENYLBUTYRIC ACID
CAS 4286-15-1
Molecular Formula C10H12O2
MDL Number MFCD00063164
Molecular Weight 164.2
MOL File 4286-15-1.mol
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Chemical Properties

Appearance Colorless to light yellow liqui
alpha  [α]D20 +92～+100° (c=1, C6H5CH3)
Boiling point  98-100 °C0.3 mm Hg(lit.)
density  1.055 g/mL at 25 °C(lit.)
refractive index  n20/D 1.516(lit.)
Fp  >230 °F
pka 4.34±0.10(Predicted)
Optical Rotation [α]19/D +92°, c = 0.9 in toluene
BRN  2045208
InChI 1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)/t9-/m0/s1
InChIKey OFJWFSNDPCAWDK-VIFPVBQESA-N
SMILES CC[C@H](C(O)=O)c1ccccc1

Safety Data

Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3
HS Code  29163900
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Spectrum Detail

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