42287-87-6

Name 3-(3,5-DIMETHYLPHENYL)PROPANOIC ACID
CAS 42287-87-6
Molecular Formula C11H14O2
MDL Number MFCD09055207
Molecular Weight 178.23
MOL File 42287-87-6.mol
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Chemical Properties

Melting point  45-46.5 °C
Boiling point  168-178 °C(Press: 13 Torr)
density  1.074±0.06 g/cm3(Predicted)
storage temp.  Inert atmosphere,Room Temperature
form  solid
pka 4.71±0.10(Predicted)
InChI 1S/C11H14O2/c1-8-5-9(2)7-10(6-8)3-4-11(12)13/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKey CCPNDKXTGJGIIV-UHFFFAOYSA-N
SMILES O=C(O)CCC1=CC(C)=CC(C)=C1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P305+P351+P338
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2

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