Citronellyl isobutyrate

Base Information

• Chemical Name: Citronellyl isobutyrate
• CAS No.: 97-89-2
• Deprecated CAS: 76444-25-2
• Molecular Formula: C14H26O2
• Molecular Weight: 226.359
• Hs Code.: 2915900090
• European Community (EC) Number: 202-616-7
• NSC Number: 46148
• UNII: 5RZR3JKW1P
• DSSTox Substance ID: DTXSID7052652
• Nikkaji Number: J182.124E
• Wikidata: Q27262794
• Metabolomics Workbench ID: 47697
• Mol file: 97-89-2.mol

Synonyms:3,7-dimethyloct-6-enyl 2-methylpropanoate;citronellyl isobutyrate

Chemical Property of Citronellyl isobutyrate

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 0.00215mmHg at 25°C
• Melting Point: -22.4°C (estimate)
• Refractive Index: n20/D 1.442(lit.)
• Boiling Point: 289.8 °C at 760 mmHg
• Flash Point: 89.7 °C
• PSA: 26.30000
• Density: 0.879 g/cm³
• LogP: 3.95820
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 226.193280068
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

Citronellyl isobutyrate ≥92%, FCC ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C(=O)OCCC(C)CCC=C(C)C

Technology Process of Citronellyl isobutyrate

There total 1 articles about Citronellyl isobutyrate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

Citronellol (106-22-9) + isobutyric Acid (79-31-2) → citronellyl isobutanoate (97-89-2,94086-62-1)

Guidance literature:

In water; at 30 ℃; for 18h; Yield given; lipase from Aspergillus niger;

upstream raw materials:

Citronellol

isobutyric Acid