58368-67-5

Basic information

• Product Name: 3-PENTYL FORMATE
• Synonyms: 3-AMYL FORMATE;3-PENTYL FORMATE
• CAS NO: 58368-67-5
• Molecular Formula: C₆H₁₂O₂
• Molecular Weight: 116.16
• EINECS: 211-340-6
• Mol File: 58368-67-5.mol
• Article Data: 4

Chemical Properties

• Melting Point: -83.5°C (estimate)
• Boiling Point: 116-118°C
• Flash Point: 116-118°C
• Appearance: /
• Density: 0.873
• Refractive Index: 1.3917 (estimate)
• CAS DataBase Reference: 3-PENTYL FORMATE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-PENTYL FORMATE(58368-67-5)
• EPA Substance Registry System: 3-PENTYL FORMATE(58368-67-5)

Safety Data

• RIDADR: UN3272
• TSCA: Yes
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 58368-67-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C6H12O2/c1-3-6(4-2)8-5-7/h5-6H,3-4H2,1-2H3

Upstream product

• 64-18-6 formic acid 
• 584-02-1 2-pentanol 
• 97-96-1 2-Ethylbutyraldehyde 

Relevant articles and documents

Method for preparing formate-type compound

The invention discloses a method for preparing a formate-type compound. The method comprises the following steps of: adopting an alcohol-type compound and 1,3-dihydroxyacetone as reaction raw materials, and under the existence of a composite catalyst and an oxidant, reacting for 2-48 hours in a reaction medium in a reactor at a reaction temperature of 25-100 DEG C so as to obtain the formate-typecompound. The method disclosed by the invention is simple, and is mild in reaction condition, and by the method, a target product can be obtained by low cost and high yield; the used catalyst has highcatalytic activity, and is easily separated from a reaction system to be repeatedly used; the whole process is environment-friendly, and the reaction raw material (1,3-dihydroxyacetone) is easily converted from a side product (glycerol) of biodiesel, so that the utilization of the glycerol is promoted.

Experimental and computational studies on solvent effects in reactions of peracid-aldehyde adducts

Solvent effects on liquid phase oxidation of aldehydes by dioxygen and m-chloroperbenzoic acid were studied experimentally. The main products were the corresponding carboxylic acid and a formate ester formed by Baeyer-Villiger rearrangement. In alcohol solvents (particularly methanol) substantially higher acid to formate ratios were formed than in solvents not capable of forming hydrogen bonds. Formation of both main products can be rationalised via rearrangement reactions of two epimeric peracid-aldehyde adducts, of which the interactions with methanol were studied computationally employing DFT methods at the DNPP level with the Spartan program (v5.0). The calculations indicate that structures of the adducts rearranging to give two equivalents of acid resemble the transition state of the reaction more than structures of the epimeric adducts rearranging to the acid and formate ester in 1:1 ratio. Therefore, the enhanced favor of the formation of acid in the presence of methanol can be explained in the light of Hammond's postulate.