2-Enevalproic acid Structure

2-Enevalproic acid

Chemical Properties

Melting point 36 °C
Boiling point 242.9±9.0 °C(Predicted)
Density  0.956±0.06 g/cm3(Predicted)
storage temp.  Hygroscopic, -20°C Freezer, Under Inert Atmosphere
solubility  DMF: 15 mg/ml; DMSO: 20 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 1 mg/ml
pka 5.03±0.36(Predicted)
BRN  1721109
Stability Hygroscopic, Light, Temperature and Moisture Sensitive
Major Application pharmaceutical
InChI 1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h5H,3-4,6H2,1-2H3,(H,9,10)/b7-5+
InChIKey ZKNJEOBYOLUGKJ-FNORWQNLSA-N
SMILES CC/C=C(CCC)/C(O)=O
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Skull and Crossbones (GHS06)
Signal wordDanger
Hazard statements H301
Precautionary statements P301+P310
Hazard Codes  T
Risk Statements  25
Safety Statements  45
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  3
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
NFPA 704:
0
2 0

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