Vernaldehyde

• CAS: 66327-54-6
• Catalog Number: ACM66327546
• Category: Other Products
• Molecular Weight: 208.34
• Molecular Formula: C₁₄H₂₄O
• Synonyms: 1-Formyl-1-methyl-4-(4-methylpentyl)-3-cyclohexene
• IUPAC Name: 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
• Canonical SMILES: CC(C)CCCC1=CCC(CC1)(C)C=O
• InChI: InChI=1S/C14H24O/c1-12(2)5-4-6-13-7-9-14(3,11-15)10-8-13/h7,11-12H,4-6,8-10H2,1-3H3
• InChI Key: MVTYXAVPKZRAMW-UHFFFAOYSA-N
• Boiling Point: 287.55 °C
• Flash Point: 78 °C
• Density: 0.9275 g/mL at 25 °C(lit.)
• Exact Mass: 208.182715385
• Monoisotopic Mass: 208.182715385
• Physical State: Liquid
• Refractive Index: n20/D 1.4765(lit.)
• Topological Polar Surface Area: 17.1 Ų