1798-04-5

Name 4-TERT-BUTYLPHENOXYACETIC ACID
CAS 1798-04-5
Molecular Formula C12H16O3
MDL Number MFCD00021758
Molecular Weight 208.25
MOL File 1798-04-5.mol
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Chemical Properties

Melting point  96 °C(lit.)
Boiling point  325.4±25.0 °C(Predicted)
density  1.088±0.06 g/cm3(Predicted)
storage temp.  Storage temp. 2-8°C
solubility  Sparingly Soluble (0.56 g/L) (25°C), Calc.
pka 3.22±0.10(Predicted)
Appearance Off-white to light yellow Solid
BRN  2368208
InChI InChI=1S/C12H16O3/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChIKey FBIGAJNVRFKBJL-UHFFFAOYSA-N
SMILES C(O)(=O)COC1=CC=C(C(C)(C)C)C=C1
CAS DataBase Reference 1798-04-5(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
WGK Germany  3
HazardClass  IRRITANT
HS Code  2918990090

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