(3E)-4-(1,3,3-Trimethyl-7-Oxabicyclo[4.1.0]Hept-2-Yl)-3-Buten-2-One
[CAS# 190059-33-7]

Identification

• Classification: Chemical reagent >> Organic reagent >> Epoxide
• Name: (3E)-4-(1,3,3-Trimethyl-7-Oxabicyclo[4.1.0]Hept-2-Yl)-3-Buten-2-One
• Synonyms: (E)-4-(2,6,6-trimethyl-2,3-epoxycyclohexyl)-3-buten-2-one; 3-BUTEN-2-ONE,4-(1,3,3-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-2-YL)-, (3E)-; 4-(1,3,3-Trimethyl-7-oxabicyclo[4.1.0]hept-2-yl)-3-buten-2-one, mixture of cis and trans
• Molecular Formula: C₁₃H₂₀O₂
• Molecular Weight: 208.30
• CAS Registry Number: 190059-33-7
• SMILES: CC(=O)/C=C/C1C(CCC2C1(O2)C)(C)C
• InChI: 1S/C13H20O2/c1-9(14)5-6-10-12(2,3)8-7-11-13(10,4)15-11/h5-6,10-11H,7-8H2,1-4H3/b6-5+
• InChIKey: ODMUHAHUBCUABS-AATRIKPKSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 302.4±15.0°C at 760 mmHg (Cal.)
• Flash point: 123.1±13.9°C (Cal.)
• Refractive index: 1.532 (Cal.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract