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3972-36-9

Name (S)-2-Benzylsuccinic acid
CAS 3972-36-9
EINECS(EC#) 609-742-5
Molecular Formula C11H12O4
MDL Number MFCD00798341
Molecular Weight 208.21
MOL File 3972-36-9.mol

Chemical Properties

Melting point  164.0 to 168.0 °C
Boiling point  331.4±22.0 °C(Predicted)
density  1.290±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
form  powder to crystal
pka 3.97±0.10(Predicted)
color  White to Almost white
InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKey GTOFKXZQQDSVFH-VIFPVBQESA-N
SMILES C(O)(=O)[C@@H](CC1=CC=CC=C1)CC(O)=O
CAS DataBase Reference 3972-36-9(CAS DataBase Reference)

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
HS Code  29173990

Hazard Information

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