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3,4-Dimethylbenzoic acid Structure

3,4-Dimethylbenzoic acid

Chemical Properties

Melting point 163-165 °C (lit.)
Boiling point 271.51°C (estimate)
Density  1.0937 (estimate)
refractive index  1.5188 (estimate)
storage temp.  Sealed in dry,Room Temperature
pka 4.44±0.10(Predicted)
form  Crystalline Powder
color  White to beige
Water Solubility  129.2mg/L(temperature not stated)
BRN  907267
InChI InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)
InChIKey OPVAJFQBSDUNQA-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(C)C(C)=C1
CAS DataBase Reference 619-04-5(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 3,4-dimethyl-(619-04-5)
EPA Substance Registry System 3,4-Dimethylbenzoic acid (619-04-5)

Safety Information

Hazard Codes  Xi,Xn
Risk Statements  36/37/38-22
Safety Statements  22-24/25-37/39-26
WGK Germany  3
RTECS  DG8734020
TSCA  TSCA listed
HS Code  29163900
Storage Class 13 - Non Combustible Solids

MSDS

Usage And Synthesis

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