3153-44-4

Name 3-(4-METHOXYBENZOYL)PROPIONIC ACID
CAS 3153-44-4
EINECS(EC#) 221-593-4
Molecular Formula C11H12O4
MDL Number MFCD00002795
Molecular Weight 208.21
MOL File 3153-44-4.mol
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Chemical Properties

Appearance WHITE CRYSTALLINE POWDER
Melting point  148-150 °C(lit.)
Boiling point  307.4°C (rough estimate)
density  1.2252 (rough estimate)
refractive index  1.5020 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  powder to crystal
pka 4.58±0.17(Predicted)
color  White to Orange to Green
Water Solubility  18g/L at 25℃
Detection Methods HPLC
BRN  785074
InChI InChI=1S/C11H12O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)
InChIKey OMTDIBZSUZNVJK-UHFFFAOYSA-N
SMILES C1(C=CC(OC)=CC=1)C(=O)CCC(=O)O
LogP 1.38
CAS DataBase Reference 3153-44-4(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
REACH Registrations Active
HazardClass  IRRITANT
HS Code  29163990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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