Isovaleramide Structure

Isovaleramide

Chemical Properties

Melting point 135 °C
Boiling point 232°C
Density  0.965
refractive index  1.4367 (estimate)
Flash point 232°C
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO:135.0(Max Conc. mg/mL);1334.66(Max Conc. mM)
Ethanol:20.0(Max Conc. mg/mL);197.73(Max Conc. mM)
Water:20.0(Max Conc. mg/mL);197.73(Max Conc. mM)
form  White Crystalline flakes
pka 16.72±0.40(Predicted)
color  White to off-white
Merck  14,5230
BRN  1740789
InChI InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)
InChIKey SANOUVWGPVYVAV-UHFFFAOYSA-N
SMILES C(N)(=O)CC(C)C
CAS DataBase Reference 541-46-8(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 9CP4KB634M
EPA Substance Registry System Butanamide, 3-methyl- (541-46-8)

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P271-P280
Hazard Codes  Xi
Safety Statements  22-24/25
RTECS  EJ3650000
TSCA  TSCA listed
HS Code  2924190090
NFPA 704:
1
2 0

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