Isopropyl formate

Base Information

• Chemical Name: Isopropyl formate
• CAS No.: 625-55-8
• Molecular Formula: C4H8O2
• Molecular Weight: 88.1063
• Hs Code.: 29151300
• European Community (EC) Number: 210-901-2
• UN Number: 1993
• UNII: H1L164W42G
• DSSTox Substance ID: DTXSID2027258
• Nikkaji Number: J53.981C
• Wikidata: Q461068
• Metabolomics Workbench ID: 49092
• ChEMBL ID: CHEMBL3184082
• Mol file: 625-55-8.mol

Synonyms:formic acid isopropyl ester;isopropyl formate

Chemical Property of Isopropyl formate

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 127mmHg at 25°C
• Melting Point: -93 °C
• Refractive Index: n20/D 1.368(lit.)
• Boiling Point: 70.8 °C at 760 mmHg
• Flash Point: 7°F
• PSA: 26.30000
• Density: 0.884 g/cm³
• LogP: 1.20370
• Water Solubility.: slightly soluble in water, completely miscible with alcohol, ether, and most organic solvents.
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 88.052429494
• Heavy Atom Count: 6
• Complexity: 40.8

Purity/Quality:

98% ^*data from raw suppliers

Isopropyl Formate >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38-67-36/37
• Safety Statements: 16-33-36-24-9

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Esters (
• Canonical SMILES: CC(C)OC=O
• Description: Isopropyl formate has a characteristic fruity, ether-like odor and a sweet taste reminiscent of plum. May be synthesized by direct esterification. In addition to food use, isopropyl formate is used as a fungicide, bactericide and wood preservative.
• Uses: Isopropyl formate, is a flavoring agent. It can also be used as fragrance agent.

Technology Process of Isopropyl formate

There total 30 articles about Isopropyl formate 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: 95.0%

isopropyl alcohol (67-63-0,8013-70-5) + formic acid ethyl ester (109-94-4) → isopropyl formate (625-55-8)

Guidance literature:

With phosphotungstic acid; at 70 ℃; for 0.75h;

Reference yield: 95.0%

formic acid (64-18-6) + isopropyl alcohol (67-63-0,8013-70-5) → isopropyl formate (625-55-8)

Guidance literature:

With phosphotungstic acid; at 70 ℃; for 0.75h;

Reference yield: 92.0%

2-oxopyridine-1(2H)-carbaldehyde (74885-84-0) + isopropyl alcohol (67-63-0,8013-70-5) → isopropyl formate (625-55-8)

Guidance literature:

In dichloromethane; for 12h; Ambient temperature;

upstream raw materials:

formic acid

propene

Methyl formate

isopropyl alcohol

Downstream raw materials:

formic acid

propene

isopropyl alcohol

isobutyric Acid

Refernces

Direct Conversion of Nitriles into Alkene “Isonitriles”

10.1002/anie.201607806

The research focuses on the development of a direct and efficient method for converting nitriles to alkene "isonitriles," which are valuable synthetic precursors. The process involves a series of orchestrated steps including the addition of RLi to nitriles, formylation with isopropyl formate, and dehydration with phosphoryl chloride, all catalyzed by CuCN. The key step in this one-pot sequence is the CuCN-catalyzed equilibration of a formyl imine to an N-formyl enamine. The synthesized alkeneisocyanides, which are challenging to obtain through conventional methods, were found to engage in an unusual [4+2]-type cycloaddition/1,3-H shift/decyanation sequence to afford substituted naphthalenes.