2861-28-1

Name 3,4-(METHYLENEDIOXY)PHENYLACETIC ACID
CAS 2861-28-1
EINECS(EC#) 220-679-9
Molecular Formula C9H8O4
MDL Number MFCD00014576
Molecular Weight 180.16
MOL File 2861-28-1.mol
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Chemical Properties

Appearance BEIGE TO PALE YELLOW MICRO-CRYSTALLINE POWDER
Melting point  125-129 °C(lit.)
Boiling point  272.96°C (rough estimate)
density  1.2933 (rough estimate)
refractive index  1.4500 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Micro-Crystalline Powder
pka 4.31±0.10(Predicted)
color  Beite to pale yellow
Water Solubility  Soluble in water (partly), ethanol, and methanol.
BRN  177739
InChI InChI=1S/C9H8O4/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-3H,4-5H2,(H,10,11)
InChIKey ODVLMCWNGKLROU-UHFFFAOYSA-N
SMILES O1C2=CC=C(CC(O)=O)C=C2OC1
CAS DataBase Reference 2861-28-1(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
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29163990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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