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(3,4-Dimethoxyphenyl)acetic acid Structure

(3,4-Dimethoxyphenyl)acetic acid

  • Product Name(3,4-Dimethoxyphenyl)acetic acid
  • CAS93-40-3
  • CBNumberCB4149587
  • MFC10H12O4
  • MW196.2
  • EINECS202-244-5
  • MDL NumberMFCD00004335
  • MOL File93-40-3.mol

Chemical Properties

Melting point: 96-98 °C (lit.)
Boiling point: 293.08°C (rough estimate)
Density  1.2166 (rough estimate)
refractive index  1.5430 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka pK1:4.333 (25°C)
form  Powder
color  White to beige
Water Solubility  SOLUBLE
BRN  1110282
InChI 1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
InChIKey WUAXWQRULBZETB-UHFFFAOYSA-N
SMILES COc1ccc(CC(O)=O)cc1OC
LogP 1.242
CAS DataBase Reference 93-40-3(CAS DataBase Reference)
NIST Chemistry Reference Acetic acid, 3,4-dimethoxyphenyl-(93-40-3)
EPA Substance Registry System Benzeneacetic acid, 3,4-dimethoxy- (93-40-3)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xn,Xi
Risk Statements  36/37/38-22-36/37
Safety Statements  22-24/25-36/37-26-37/39
WGK Germany  3
RTECS  AH0675000
TSCA  TSCA listed
HazardClass  IRRITANT
HS Code  29189090
Storage Class 11 - Combustible Solids
REACH Registrations Active
NFPA 704:
0
2 0

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