Toxol
[CAS# 26296-56-0]

Identification

• Name: Toxol
• Synonyms: 1-[(2S,3R)-3-Hydroxy-2-Isopropenyl-2,3-Dihydrobenzofuran-5-Yl]Ethanone; C08979; Toxol
• Molecular Formula: C₁₃H₁₄O₃
• Molecular Weight: 218.25
• CAS Registry Number: 26296-56-0
• SMILES: [C@@H]2([C@@H](C1=CC(=CC=C1O2)C(=O)C)O)C(=C)C
• InChI: 1S/C13H14O3/c1-7(2)13-12(15)10-6-9(8(3)14)4-5-11(10)16-13/h4-6,12-13,15H,1H2,2-3H3/t12-,13+/m1/s1
• InChIKey: KWZYQHQNOWRQRG-OLZOCXBDSA-N

Properties

• Density: 1.189g/cm³ (Cal.)
• Boiling point: 343.716°C at 760 mmHg (Cal.)
• Flash point: 129.766°C (Cal.)