(5-Benzyl-3-Furyl)Methyl 2,2-Dimethyl-3-(2-Methyl-1-Propen-1-Yl)Cyclopropanecarboxylate
[CAS 114175-99-4]

Identification

• Name: (5-Benzyl-3-Furyl)Methyl 2,2-Dimethyl-3-(2-Methyl-1-Propen-1-Yl)Cyclopropanecarboxylate
• Synonyms: (+)-trans-Resmethrin; (1R trans)-2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid [5-(phenylmethyl)-3-furanyl] methyl ester; (5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
• Molecular Formula: C₂₂H₂₆O₃
• Molecular Weight: 338.44
• CAS Registry Number: 114175-99-4
• SMILES: CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C
• InChI: 1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3
• InChIKey: VEMKTZHHVJILDY-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 415.6±45.0°C at 760 mmHg (Cal.)
• Flash point: 205.2±28.7°C (Cal.)
• Refractive index: 1.574 (Cal.)

References

• (1): Goffredo Rosini, Valerio Borzatta, Claudio Paolucci and Paolo Righi. Comparative assessment of an alternative route to (5-benzylfuran-3-yl)methanol (Elliott's alcohol), a key intermediate for the industrial production of resmethrins, Green Chem., 2008, 10, 1146.