583-91-5

Name 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID
CAS 583-91-5
EINECS(EC#) 209-523-0
Molecular Formula C5H10O3S
MDL Number MFCD00070490
Molecular Weight 150.2
MOL File 583-91-5.mol

Chemical Properties

Boiling point  74°C
density  1.277±0.06 g/cm3 | Condition: Temp: 20 °C Press: 760 Torr
refractive index  1.5151 (estimate)
storage temp.  Inert atmosphere,Room Temperature
solubility  Soluble in DMSO:0.0(Max Conc. mg/mL);0.0(Max Conc. mM)
form  Liquid (Density: 1.22 g/cm3)
pka 3.67±0.10(Predicted)
color  Light yellow to brown
Optical Rotation 0.7° (C=0.15 g/100ml, ETOH)
Usage Methionine hydroxy analogue
Merck  5976
InChI InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKey ONFOSYPQQXJWGS-UHFFFAOYSA-N
SMILES C(O)(=O)C(O)CCSC
CAS DataBase Reference 583-91-5(CAS DataBase Reference)
EPA Substance Registry System 2-Hydroxy-4-(methylthio) butanoic acid (583-91-5)

Safety Data

Risk Statements 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RTECS  ET4731500
TSCA  TSCA listed
HS Code  2930.90.4600
Hazardous Substances Data 583-91-5(Hazardous Substances Data)
Toxicity
LD50 oral in rat: 3478mg/kg

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