29678-81-7

Name (R)-2-Hydroxy-4-phenylbutyric acid
CAS 29678-81-7
Molecular Formula C10H12O3
MDL Number MFCD00192219
Molecular Weight 180.2
MOL File 29678-81-7.mol

Chemical Properties

Melting point  114-117 °C (lit.)
Boiling point  356.9±22.0 °C(Predicted)
density  1.219±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Methanol
form  Solid
pka 3.79±0.10(Predicted)
color  Off-white
Optical Rotation [α]20/D 9.5°, c = 2.8 in ethanol
BRN  3201296
InChI 1S/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m1/s1
InChIKey JNJCEALGCZSIGB-SECBINFHSA-N
SMILES O[C@H](CCc1ccccc1)C(O)=O
CAS DataBase Reference 29678-81-7(CAS DataBase Reference)

Safety Data

Hazard Codes  F
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
3
HS Code  2918199890
Storage Class 11 - Combustible Solids

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