4165-96-2

Name 3-Phenylglutaric acid
CAS 4165-96-2
EINECS(EC#) 224-016-4
Molecular Formula C11H12O4
MDL Number MFCD00002718
Molecular Weight 208.21
MOL File 4165-96-2.mol
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Chemical Properties

Appearance almost white to light beige powder or chunks
Melting point  140-143 °C (lit.)
Boiling point  307.4°C (rough estimate)
density  1.2252 (rough estimate)
refractive index  1.5020 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 4.06±0.10(Predicted)
color  White to Off-White
BRN  2052171
Stability: Hygroscopic
InChI InChI=1S/C11H12O4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
InChIKey RZOKZOYSUCSPDF-UHFFFAOYSA-N
SMILES C(O)(=O)CC(C1=CC=CC=C1)CC(O)=O
CAS DataBase Reference 4165-96-2(CAS DataBase Reference)

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

Material Safety Data Sheet(MSDS)

Spectrum Detail

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