Nonyl isovalerate

Base Information

• Chemical Name: Nonyl isovalerate
• CAS No.: 7786-47-2
• Molecular Formula: C14H28 O2
• Molecular Weight: 228.37
• European Community (EC) Number: 232-098-8
• UNII: SXP0UF66RQ
• DSSTox Substance ID: DTXSID90228473
• Nikkaji Number: J183.051A
• Wikidata: Q27289452
• Metabolomics Workbench ID: 48027
• Mol file: 7786-47-2.mol

Synonyms:Nonyl isovalerate;Nonyl 3-methylbutanoate;Nonyl isopentanoate;Isovaleric acid, nonyl ester;Nonyl isovalerianate;7786-47-2;FEMA No. 2791;Butanoic acid, 3-methyl-, nonyl ester;UNII-SXP0UF66RQ;SXP0UF66RQ;EINECS 232-098-8;Isovaleriansaurenonylester;Isovaleric acid nonyl ester;SCHEMBL3504225;NONYL ISOVALERATE [FHFI];FEMA 2791;DTXSID90228473;CHEBI:179776;JHKZVDVMXZGMOX-UHFFFAOYSA-N;LMFA07010977;Q27289452

Chemical Property of Nonyl isovalerate

Chemical Property:

• Vapor Pressure: 0.00918mmHg at 25°C
• Boiling Point: 265.4oC at 760 mmHg
• Flash Point: 115oC
• Density: 0.866g/cm3
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 228.208930132
• Heavy Atom Count: 16
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCOC(=O)CC(C)C