Acetaldehyde hexyl isoamyl acetal

Base Information

• Chemical Name: Acetaldehyde hexyl isoamyl acetal
• CAS No.: 233665-90-2
• Molecular Formula: C13H28 O2
• Molecular Weight: 216.36
• UNII: L3RBE1989V
• DSSTox Substance ID: DTXSID60946036
• Nikkaji Number: J260.936C
• Wikidata: Q27282663
• Metabolomics Workbench ID: 45297
• Mol file: 233665-90-2.mol

Synonyms:Acetaldehyde hexyl isoamyl acetal;233665-90-2;FEMA No. 4365;1-Hexoxy-1-(3-methylbutoxy)ethane;UNII-L3RBE1989V;L3RBE1989V;1-Hexyloxy-1-(3-methylbutyl)oxypropane;Hexane, 1-(1-(3-methylbutoxy)ethoxy)-;1-Hexyloxy-1-isopentyl oxyethane;1-[1-(3-methylbutoxy)ethoxy]hexane;Acetaldehyde hexyl isoamyl acetal [FIFH];Acetaldehyde hexylisoamyl acetal;SCHEMBL20269226;DTXSID60946036;CHEBI:173623;1-[1-(3-Methylbutoxy)ethoxy]-Hexane;1- HEXYLOXY-1-ISOPENTYL OXYETHANE;1-[1-(HEXYLOXY)ETHOXY]-3-METHYLBUTANE;ACETALDEHYDE HEXYL ISOAMYL ACETAL [FHFI];Q27282663

Chemical Property of Acetaldehyde hexyl isoamyl acetal

Chemical Property:

• Vapor Pressure: 0.0485mmHg at 25°C
• Refractive Index: 1.428
• Boiling Point: 244°Cat760mmHg
• Flash Point: 58.6°C
• PSA: 18.46000
• Density: 0.843g/cm³
• LogP: 3.99200
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 216.208930132
• Heavy Atom Count: 15
• Complexity: 124

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(C)OCCC(C)C
• Description: Colorless liquid; sweet, fruity aroma.