Identification Chemical Properties Safety Data Hazard Information Supplier Related Products

53949-53-4

Name Benzeneacetic acid, 4-(1-hydroxy-2-methylpropyl)--alpha--methyl- (9CI)
CAS 53949-53-4
Molecular Formula C13H18O3
MDL Number MFCD08275586
Molecular Weight 222.28
MOL File 53949-53-4.mol

Chemical Properties

Melting point  80-85°C
Boiling point  367.5±22.0 °C(Predicted)
density  1.119±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Acetonitrile (Slightly), Chloroform (Slightly, Heated), Methanol (Slightly)
form  neat
pka 4.39±0.10(Predicted)
color  White to Off-White
BRN  22307543
InChI InChI=1S/C13H18O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12,14H,1-3H3,(H,15,16)
InChIKey RMOQYHYFRKTDRI-UHFFFAOYSA-N
SMILES C1(C(C)C(O)=O)=CC=C(C(O)C(C)C)C=C1

Safety Data

Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3

Hazard Information

Supplier