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5-TERT-BUTYLISOPHTHALIC ACID

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5-TERT-BUTYLISOPHTHALIC ACID Basic information

Product Name:
5-TERT-BUTYLISOPHTHALIC ACID
Synonyms:
  • 1,3-Benzenedicarboxylicacid,5-(1,1-dimethylethyl)-
  • 5-(1,1-Dimethylethyl)-1,3-benzenedicarboxylic acid
  • 5-tert-Butyl-m-phthalic acid
  • 5-tert-butyl-1,3-benzenedicarboxylicacid
  • 5-tert-Butylisophthalic acid 98%
  • 5-tert-Butylisophthalic Acid
  • 3-Benzenedicarboxylicacid,5-(1,1-dimethylethyl)-1
  • 5-(1,1-dimethylethyl)-3-benzenedicarboxylicacid
CAS:
2359-09-3
MF:
C12H14O4
MW:
222.24
EINECS:
219-100-2
Product Categories:
  • Phthalic Acids, Esters and Derivatives
  • Carboxylic Acid Monomers
  • Monomers
  • Polymer Science
Mol File:
2359-09-3.mol
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5-TERT-BUTYLISOPHTHALIC ACID Chemical Properties

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)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-37/39
WGK Germany 
3
HS Code 
29173990

MSDS

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5-TERT-BUTYLISOPHTHALIC ACID Usage And Synthesis

Chemical Properties

WHITE TO VERY SLIGHTLY YELLOW FINE CRYST. POWDER

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