13205-46-4

Name 4-ISOPROPOXYBENZOIC ACID
CAS 13205-46-4
EINECS(EC#) 236-169-4
Molecular Formula C10H12O3
MDL Number MFCD00044318
Molecular Weight 180.2
MOL File 13205-46-4.mol
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Chemical Properties

Appearance white to off-white powder
Melting point  164-167 °C (lit.)
Boiling point  297℃
density  1.130
refractive index  1.5160 (estimate)
Fp  116℃
storage temp.  Store below +30°C.
form  powder to crystal
pka pK1:4.68 (20°C)
color  White to Almost white
Water Solubility  Insoluble in water.
InChI 1S/C10H12O3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12)
InChIKey ZVERWTXKKWSSHH-UHFFFAOYSA-N
SMILES CC(C)Oc1ccc(cc1)C(O)=O
CAS DataBase Reference 13205-46-4(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
HazardClass  IRRITANT
HS Code  29189900
Storage Class 13 - Non Combustible Solids

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