Basic information Description Synthesis Safety Related Supplier
3,4,5-Trimethoxy benzoic acid Structure

3,4,5-Trimethoxy benzoic acid

Chemical Properties

Melting point 168-171 °C (lit.)
Boiling point 225-227 °C/10 mmHg (lit.)
Density  1.3006 (rough estimate)
refractive index  1.5140 (estimate)
Flash point 225-226°C/10mm
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
pka 4.23±0.10(Predicted)
form  Liquid
color  Clear colorless to yellow
Water Solubility  SLIGHTLY SOLUBLE
BRN  884655
InChI 1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
InChIKey SJSOFNCYXJUNBT-UHFFFAOYSA-N
SMILES COc1cc(cc(OC)c1OC)C(O)=O
LogP 1.900 (est)
CAS DataBase Reference 118-41-2(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 3,4,5-trimethoxy-(118-41-2)
EPA Substance Registry System Benzoic acid, 3,4,5-trimethoxy- (118-41-2)

Safety Information

Hazard Codes  Xi,Xn
Risk Statements  36/37/38-20/21/22
Safety Statements  26-36
WGK Germany  1
Hazard Note  Irritant
TSCA  TSCA listed
HS Code  29189090
Storage Class 11 - Combustible Solids

MSDS

Usage And Synthesis

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