3-(4-Methoxybenzoyl)propionic acid , >98.0%(HPLC) , 3153-44-4

CAS NO.：3153-44-4

Empirical Formula: C11H12O4

Molecular Weight: 208.21

MDL number: MFCD00002795

EINECS: 221-593-4

PRODUCT Properties

• 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℃
• 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

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338-P280a-P304+P340-P405-P501a
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: IRRITANT
• HS Code: 29163990