40188-45-2

Name 2-Acetyl-4-butyramidophenol
CAS 40188-45-2
EINECS(EC#) 254-831-0
Molecular Formula C12H15NO3
MDL Number MFCD00798556
Molecular Weight 221.25
MOL File 40188-45-2.mol
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Chemical Properties

Melting point  120-126 °C (lit.)
Boiling point  428.0±35.0 °C(Predicted)
density  1.192±0.06 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  DMSO (Slightly), Methanol (Slightly)
form  neat
pka 10.37±0.31(Predicted)
color  Pale Beige
InChI InChI=1S/C12H15NO3/c1-3-4-12(16)13-9-5-6-11(15)10(7-9)8(2)14/h5-7,15H,3-4H2,1-2H3,(H,13,16)
InChIKey FGWZEOPEZISTTR-UHFFFAOYSA-N
SMILES C(NC1=CC=C(O)C(C(C)=O)=C1)(=O)CCC
CAS DataBase Reference 40188-45-2(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R38:Irritating to the skin.
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
WGK Germany  3
REACH Registrations Active
HS Code  2924296000
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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