41345-70-4

Name 3-acetylsulfanylpropanoic acid
CAS 41345-70-4
Molecular Formula C5H8O3S
MDL Number MFCD06208418
Molecular Weight 148.18
MOL File 41345-70-4.mol
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Chemical Properties

Melting point  48-52 °C
Boiling point  128°C/3mmHg(lit.)
density  1.268±0.06 g/cm3(Predicted)
Fp  110 °C
storage temp.  2-8°C, stored under nitrogen
solubility  soluble in Methanol
form  powder to crystal
pka 4.13±0.10(Predicted)
color  White to Light yellow
InChI 1S/C5H8O3S/c1-4(6)9-3-2-5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey AYQXANXXZYKTDL-UHFFFAOYSA-N
SMILES CC(=O)SCCC(O)=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3
HS Code  2930.90.4950
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

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