79694-16-9

Name 4-Propoxylmandelic acid
CAS 79694-16-9
Molecular Formula C11H14O4
MDL Number MFCD07368282
Molecular Weight 210.23
MOL File 79694-16-9.mol
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Chemical Properties

Boiling point  387.1±32.0 °C(Predicted)
density  1?+-.0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
pka 3.45±0.10(Predicted)
InChI InChI=1S/C11H14O4/c1-2-7-15-9-5-3-8(4-6-9)10(12)11(13)14/h3-6,10,12H,2,7H2,1H3,(H,13,14)
InChIKey UBHMYNPCDNGWBM-UHFFFAOYSA-N
SMILES C(O)(=O)C(O)C1=CC=C(C=C1)OCCC
CAS DataBase Reference 79694-16-9(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H312-H332
Precautionary statements  P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Hazard Codes  Xi
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  2916340000

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