Beta-cyclocitral

• CAS: 432-25-7
• Catalog Number: ACM432257
• Category: Other Products
• Molecular Weight: 152.23
• Molecular Formula: C10H16O
• Synonyms: 1-Formyl-2,6,6-trimethyl-1-cyclohexene
• IUPAC Name: 2,6,6-Trimethylcyclohexene-1-carbaldehyde
• Canonical SMILES: CC1=C(C(CCC1)(C)C)C=O
• InChI: InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
• InChI Key: MOQGCGNUWBPGTQ-UHFFFAOYSA-N
• Boiling Point: 62-63 °C
• Melting Point: 62-63°C
• Flash Point: >230 °F
• Density: 0.943 g/mL at 25 °C(lit.)
• Solubility: water, 86.14 mg/L @ 25 °C (est)
• Appearance: Colorless to pale yellow clear liquid (est)
• Assay: 0.9999
• EC Number: 207-081-3
• Exact Mass: 152.12011513
• Hazard Statements: Xn: Harmful
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• MDL Number: MFCD00079078
• Monoisotopic Mass: 152.12011513
• Packaging: 1 kg
• Packing Group: III
• Physical State: Oil
• Refractive Index: n20/D 1.497(lit.)
• Safety Description: 26-36
• Storage Conditions: Inert atmosphere,under -20 °C
• Topological Polar Surface Area: 17.1 Ų