2359-09-3

Name 5-TERT-BUTYLISOPHTHALIC ACID
CAS 2359-09-3
EINECS(EC#) 219-100-2
Molecular Formula C12H14O4
MDL Number MFCD00067047
Molecular Weight 222.24
MOL File 2359-09-3.mol
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Chemical Properties

Appearance WHITE TO VERY SLIGHTLY YELLOW FINE CRYST. POWDER
Melting point  >300 °C(lit.)
Boiling point  400.0±42.0 °C(Predicted)
density  1.226±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
form  powder to crystal
pka 3.63±0.10(Predicted)
color  White to Almost white
InChI InChI=1S/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKey BJLUCDZIWWSFIB-UHFFFAOYSA-N
SMILES C1(C(O)=O)=CC(C(C)(C)C)=CC(C(O)=O)=C1
CAS DataBase Reference 2359-09-3(CAS DataBase Reference)
EPA Substance Registry System 5-tert-Butylisophthalic acid (2359-09-3)

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 .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
TSCA  TSCA listed
HS Code  29173990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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