Prenyl isobutyrate

Base Information

• Chemical Name: Prenyl isobutyrate
• CAS No.: 76649-23-5
• Molecular Formula: C9H16 O2
• Molecular Weight: 156.225
• Hs Code.: 2915900090
• European Community (EC) Number: 278-516-2
• UNII: 6W5A030WDT
• DSSTox Substance ID: DTXSID6072841
• Nikkaji Number: J319.350K
• Wikidata: Q27265613
• Metabolomics Workbench ID: 45563
• Mol file: 76649-23-5.mol

Synonyms:Prenyl isobutyrate;76649-23-5;3-Methylbut-2-enyl isobutyrate;3-methylbut-2-enyl 2-methylpropanoate;Propanoic acid, 2-methyl-, 3-methyl-2-butenyl ester;UNII-6W5A030WDT;Propanoic acid,2-methyl-, 3-methyl-2-buten-1-yl ester;6W5A030WDT;Propanoic acid, 2-methyl-, 3-methyl-2-buten-1-yl ester;EINECS 278-516-2;PRENYL-ISOBUTYRATE;SCHEMBL2150269;DTXSID6072841;FEMA NO. 4206;PRENYL ISOBUTYRATE [FHFI];CHEBI:171775;AKOS006241423;3-Methyl-2-butenyl 2-methylpropanoate #;3-methylbut-2-en-1-yl 2-methylpropanoate;FT-0719124;2-Methylpropanoic acid 3-methyl-2-butenyl ester;ISOBUTYRIC ACID, 3-METHYL-2-BUTENYL ESTER;Q27265613;4-(N,N-DIMETHYLAMINO)PHENYLBORONICACID,PINACOLESTER

Chemical Property of Prenyl isobutyrate

Chemical Property:

• Vapor Pressure: 0.579mmHg at 25°C
• Boiling Point: 189.1°C at 760 mmHg
• Flash Point: 68.6°C
• PSA: 26.30000
• Density: 0.895g/cm³
• LogP: 2.15180
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

98%min ^*data from raw suppliers

PRENYL ISOBUTYRATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Prenyl isobutyrate

There total 2 articles about Prenyl 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: 99.0%

isobutyryl chloride (79-30-1) + 3-methyl-2-buten-1-ol (556-82-1) → 3-methyl-2-butenyl isobutanoate (76649-23-5)

Guidance literature:

With pyridine; dmap; In dichloromethane; at 0 - 20 ℃; for 2.5h;

DOI:10.1021/jf503631e

Reference yield:

2-methyl-3-buten-2-ol (115-18-4) + isobutyric Acid (79-31-2) → 3-methyl-2-butenyl isobutanoate (76649-23-5)

Guidance literature:

With sulfuric acid; copper(II) sulfate;

upstream raw materials:

2-methyl-3-buten-2-ol

isobutyric Acid

isobutyryl chloride

3-methyl-2-buten-1-ol