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3,5-Dimethoxybenzoic acid Structure

3,5-Dimethoxybenzoic acid

  • Product Name3,5-Dimethoxybenzoic acid
  • CAS1132-21-4
  • CBNumberCB2334033
  • MFC9H10O4
  • MW182.17
  • EINECS214-473-8
  • MDL NumberMFCD00002502
  • MOL File1132-21-4.mol

Chemical Properties

Melting point: 178-180 °C (lit.)
Boiling point: 275.56°C (rough estimate)
Density  1.2481 (rough estimate)
refractive index  1.4500 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  almost transparency in hot Methanol
pka 3.96±0.10(Predicted)
form  Crystalline Powder
color  Almost white to light beige-pink
BRN  511834
InChI 1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11)
InChIKey IWPZKOJSYQZABD-UHFFFAOYSA-N
SMILES COc1cc(OC)cc(c1)C(O)=O
LogP 2.190
CAS DataBase Reference 1132-21-4(CAS DataBase Reference)
NIST Chemistry Reference 3,5-Dimethoxybenzoic acid(1132-21-4)
EPA Substance Registry System Benzoic acid, 3,5-dimethoxy- (1132-21-4)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H335-H315-H319
Precautionary statements  P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280g-P305+P351+P338
PPE dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
Hazard Note  Irritant
TSCA  TSCA listed
HS Code  2918990090
Storage Class 11 - Combustible Solids
NFPA 704:
1
2 0

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