Vernaldehyde

Base Information

• Chemical Name: Vernaldehyde
• CAS No.: 66327-54-6
• Molecular Formula: C14H24 O
• Molecular Weight: 208.344
• Hs Code.: 2912299000
• European Community (EC) Number: 266-314-7
• DSSTox Substance ID: DTXSID9052345
• Nikkaji Number: J68.878I
• Mol file: 66327-54-6.mol

Synonyms:Vernaldehyde;66327-54-6;1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde;1-Methyl-4-(4-methylpentyl)-3-cyclohexene-1-carboxaldehyde;EINECS 266-314-7;3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methylpentyl)-;1-Formyl-1-methyl-4-(4-methylpentyl)-3-cyclohexene;SCHEMBL229453;1-methyl-4-(4-methylpentyl)cyclohex-3-enecarbaldehyde;DTXSID9052345;LS-57414;1-Formyl-1-methyl-4-(4-methyl-pentyl)-3-cyclohexene;1-Methyl-1-formyl-4-(4-methylpentyl)-3-cyclohexene;1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-carbaldehyde;3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methylpentenyl)-;1 - methyl - 4 - (4 - methylpentyl)cyclohex - 3 - ene - 1 - carbaldehyde

Chemical Property of Vernaldehyde

Chemical Property:

• Appearance/Colour: Colorless to pale yellow oily liquid
• Vapor Pressure: 0.00467mmHg at 25°C
• Refractive Index: 1.4765 (estimate)
• Boiling Point: 276.9 °C at 760 mmHg
• Flash Point: 97.4 °C
• PSA: 17.07000
• Density: 0.918 g/cm³
• LogP: 4.12820
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 208.182715385
• Heavy Atom Count: 15
• Complexity: 240

Purity/Quality:

99.9% ^*data from raw suppliers

Vernaldehyde,88-100%(GC),KOSHER 88-100%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC1=CCC(CC1)(C)C=O