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2552-55-8

Name IBOTENIC ACID
CAS 2552-55-8
Molecular Formula C5H6N2O4
MDL Number MFCD00069294
Molecular Weight 158.11
MOL File 2552-55-8.mol

Chemical Properties

Definition A isoxazole which, together with muscimol, is largely responsible for the toxicities of a number of mushrooms including those of the genus Amanita. It is a potent excitatory amino acid.
Melting point  141-147 °C
density  1.621±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.  -20°C
solubility  H2O: soluble1mg/mL, clear, colorless (with sonication)
form  White solid
pka 2.16±0.10(Predicted)
color  white
Odor Practically odorless. Faint, meat-like, mild and sweet taste in aqueous dilutions.
Water Solubility  Soluble to 10 mM in water and to 100 mM in 1.1eq. NaOH
Stability: Stable for 1 year from date of purchase as supplied. Solutions in distilled water may be stored at -20°C for up to 1 month.
InChIKey IRJCBFDCFXCWGO-UHFFFAOYSA-N
LogP -1.070 (est)
CAS DataBase Reference 2552-55-8(CAS DataBase Reference)

Safety Data

Hazard Codes  T,Xn
Risk Statements 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R25:Toxic if swallowed.
R40:Limited evidence of a carcinogenic effect.
Safety Statements 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust .
S36:Wear suitable protective clothing .
RIDADR  1544
WGK Germany  3
RTECS  NY2100000
HazardClass  6.1(b)
PackingGroup  III
Toxicity
LD50 in mice, rats (mg/kg): 15, 42 i.v.; 38, 129 orally (Theobald)

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