Tetrahydro-2,2-Dimethyl-5-(1-Methyl-1-Propen-1-Yl)-Furan
[CAS# 7416-35-5]

Identification

• Classification: Analytical chemistry >> Standard >> Food and beverage standards
• Name: Tetrahydro-2,2-Dimethyl-5-(1-Methyl-1-Propen-1-Yl)-Furan
• Synonyms: 5-But-2-En-2-Yl-2,2-Dimethyloxolane; 2,2-Dimethyl-5-[(E)-1-Methylprop-1-Enyl]Tetrahydrofuran; 2,2-Dimethyl-5-(1-Methylprop-1-Enyl)Tetrahydrofuran
• Molecular Formula: C₁₀H₁₈O
• Molecular Weight: 154.25
• CAS Registry Number: 7416-35-5
• EINECS: 231-028-3
• SMILES: CC1(OC(CC1)C(=C/C)/C)C
• InChI: 1S/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3/b8-5+
• InChIKey: LPEYLSKLVYWOEQ-VMPITWQZSA-N

Properties

• Density: 0.863g/cm³ (Cal.)
• Boiling point: 181.83°C at 760 mmHg (Cal.)
• Flash point: 56.815°C (Cal.)

References

• (1): Over et al.. Natural-product-derived fragments for fragment-based ligand discovery, Nature Chemistry, 2012