8,8-Diethoxy-2,6-dimethyloctan-2-ol

Base Information

• Chemical Name: 8,8-Diethoxy-2,6-dimethyloctan-2-ol
• CAS No.: 7779-94-4
• Molecular Formula: C14H30 O3
• Molecular Weight: 246.39
• European Community (EC) Number: 231-945-9
• UNII: F82P1A3CIM
• DSSTox Substance ID: DTXSID00864124
• Nikkaji Number: J97.894I
• Wikidata: Q27277790
• Metabolomics Workbench ID: 46604
• Mol file: 7779-94-4.mol

Synonyms:Hydroxycitronellal diethyl acetal;7779-94-4;8,8-Diethoxy-2,6-dimethyloctan-2-ol;8,8-Diethoxy-2,6-dimethyl-2-octanol;2-Octanol, 8,8-diethoxy-2,6-dimethyl-;FEMA No. 2584;1,1-Diethoxy-3,7-dimethyl-7-octanol;Hydroxy citronellal diethyl acetal;UNII-F82P1A3CIM;F82P1A3CIM;7-Hydroxy-3,7-dimethyloctanal diethyl acetal;EINECS 231-945-9;Octanal, 7-hydroxy-3,7-dimethyl-, diethyl acetal;HYDROXYCITRONELLALDIETHYLACETAL;SCHEMBL873365;FEMA 2584;DTXSID00864124;CHEBI:165845;C14H30O3;1,1-Diethoxy-7-hydroxy-3,7-dimethyloctan;FT-0730441;8,8-Diethoxy-2,6-dimethyl-2-octanol, 9CI;1,1-DIETHOXY-3,7-DIMETHYLOCTAN-7-OL;HYDROXYCITRONELLAL DIETHYL ACETAL [FHFI];(+/-)-HYDROXYCITRONELLAL DIETHYL ACETAL;HYDROXYCITRONELLAL DIETHYL ACETAL, (+/-)-;Q27277790

Chemical Property of 8,8-Diethoxy-2,6-dimethyloctan-2-ol

Chemical Property:

• Vapor Pressure: 4.39E-05mmHg at 25°C
• Boiling Point: 313.2oC at 760 mmHg
• PKA: 15.32±0.29(Predicted)
• Flash Point: 143.2oC
• PSA: 38.69000
• Density: 0.91g/cm3
• LogP: 3.35290
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 246.21949481
• Heavy Atom Count: 17
• Complexity: 174

Purity/Quality:

98% ^*data from raw suppliers

HYDROXY CITRONELLAL DIETHYL ACETAL 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(CC(C)CCCC(C)(C)O)OCC
• Description: Hydroxycitronellal diethyl acetal has a delicate, green-floral taste with almost no odor. May be prepared by condensation of hydroxycitronellal with ethanol using dry HCL.