Dimezone S Structure

Dimezone S

Chemical Properties

Melting point 122-126 °C
Boiling point 345.1°C (rough estimate)
Density  1.1427 (rough estimate)
vapor pressure  0Pa at 25℃
refractive index  1.5700 (estimate)
Flash point 113 °C
storage temp.  Storage temp. 2-8°C
pka 9.09±0.70(Predicted)
form  Solid:particulate/powder
Appearance Yellow to brown Solid
Water Solubility  7.1 g/L (20 ºC)
InChI InChI=1S/C11H14N2O2/c1-11(8-14)7-13(12-10(11)15)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,12,15)
InChIKey DSVIHYOAKPVFEH-UHFFFAOYSA-N
SMILES N1(C2=CC=CC=C2)CC(CO)(C)C(=O)N1
LogP 0.18
CAS DataBase Reference 13047-13-7(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 36N3HE0R0L
EPA Substance Registry System 3-Pyrazolidinone, 4-(hydroxymethyl)-4-methyl-1-phenyl- (13047-13-7)
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Safety

Symbol(GHS) Skull and Crossbones (GHS06)
Signal wordDanger
Hazard statements H301-H315-H319-H335
Precautionary statements P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Hazard Codes  Xn,Xi
Risk Statements  43-22-36/37/38
Safety Statements  37-24-36-26-37/39
RTECS  UQ8727500
TSCA  TSCA listed
NFPA 704:
1
1 0

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