3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoicacid , 878742-28-0

CAS NO.：878742-28-0

Empirical Formula: C12H12O3

Molecular Weight: 204.22

MDL number: MFCD09037914

PRODUCT Properties

• Boiling point: 389.2±27.0 °C(Predicted)
• Density: 1.24±0.1 g/cm3(Predicted)
• storage temp.: Store at Room Tem.
• form: solid
• pka: 3.96±0.10(Predicted)
• InChI: 1S/C12H12O3/c1-12(2,15)7-6-9-4-3-5-10(8-9)11(13)14/h3-5,8,15H,1-2H3,(H,13,14)
• InChIKey: VKXLALQKRXWOJK-UHFFFAOYSA-N
• SMILES: CC(C)(O)C#Cc1cccc(c1)C(O)=O

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H319
• Precautionary statements: P305+P351+P338
• Hazard Codes: Xn
• Risk Statements: 22-36
• Safety Statements: 26
• WGK Germany: 3
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Oral; Eye Irrit. 2