Theaspirane

• CAS: 36431-72-8
• Catalog Number: ACM36431728
• Category: Other Products
• Molecular Weight: 194.31
• Molecular Formula: C₁₃H₂₂O
• Synonyms: 1-Oxa-2,6,10,10-tetramethylspiro[4.5]dec-6-ene
• IUPAC Name: 2,6,6,10-Tetramethyl-1-oxaspiro[4.5]dec-9-ene
• Canonical SMILES: CC1CCC2(O1)C(=CCCC2(C)C)C
• InChI: InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3
• InChI Key: GYUZHTWCNKINPY-UHFFFAOYSA-N
• Boiling Point: 68-72 °C
• Flash Point: 195 °F
• Density: 0.931 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water, soluble in fats
• Appearance: Transparent liquid
• EC Number: 253-031-9
• Exact Mass: 194.167065321
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Monoisotopic Mass: 194.167065321
• Physical State: Liquid
• Refractive Index: n20/D 1.438(lit.)
• Safety Description: S24/25
• Storage Conditions: Dry place,Room Temperature
• Topological Polar Surface Area: 9.2 Ų
• WGK Germany: 2