4442-54-0

Name 1,4-Benzodioxane-6-carboxylic acid
CAS 4442-54-0
Molecular Formula C9H8O4
MDL Number MFCD00463509
Molecular Weight 180.16
MOL File 4442-54-0.mol

Chemical Properties

Melting point  134-138 °C(lit.)
Boiling point  339.8±41.0 °C(Predicted)
density  1.376±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Crystalline Solid
pka 4.37±0.20(Predicted)
color  Pale brown
InChI 1S/C9H8O4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H,10,11)
InChIKey JWZQJTGQFHIRFQ-UHFFFAOYSA-N
SMILES OC(=O)c1ccc2OCCOc2c1
CAS DataBase Reference 4442-54-0(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
HazardClass  IRRITANT
HS Code  2932990090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

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