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3-ISOCHROMANONE Structure

3-ISOCHROMANONE

Chemical Properties

Melting point 80-82 °C (lit.)
Boiling point 130 °C / 1mmHg
Density  1.196±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly, Heated, Sonicated), Methanol (Slightly)
form  Solid
color  White to Pale Beige
BRN  123692
InChI InChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2
InChIKey ILHLUZUMRJQEAH-UHFFFAOYSA-N
SMILES C1(=O)OCC2=CC=CC=C2C1
CAS DataBase Reference 4385-35-7(CAS DataBase Reference)
FDA UNII 4J87XDF6HE

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39
WGK Germany  3
HS Code  2932990090

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