629-33-4

Basic information

• Product Name: HEXYL FORMATE
• Synonyms: HEXYL FORMATE;FEMA 2570;n-Hexyl methanoate;N-HEXYL FORMATE;Formicacid,hexylester;formicacidhexylester;Hexylmethanoate;Formic acid n-hexyl ester
• CAS NO: 629-33-4
• Molecular Formula: C₇H₁₄O₂
• Molecular Weight: 130.18
• EINECS: 211-087-1
• Product Categories: Alphabetical Listings;Flavors and Fragrances;G-H
• Mol File: 629-33-4.mol
• Article Data: 21

Chemical Properties

• Melting Point: −63 °C(lit.)
• Boiling Point: 155-156 °C(lit.)
• Flash Point: 118 °F
• Appearance: colourless liquid with an ethereal, fruity, leafy, green odour
• Density: 0.879 g/mL at 25 °C(lit.)
• Vapor Pressure: 2.97mmHg at 25°C
• Refractive Index: n20/D 1.407(lit.)
• BRN: 1701629
• CAS DataBase Reference: HEXYL FORMATE(CAS DataBase Reference)
• NIST Chemistry Reference: HEXYL FORMATE(629-33-4)
• EPA Substance Registry System: HEXYL FORMATE(629-33-4)

Safety Data

• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39
• RIDADR: UN 3272 3/PG 3
• WGK Germany: 2
• RTECS: LQ8595000
• TSCA: Yes
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 629-33-4(Hazardous Substances Data)

Usage

Description

Hexyl formate has a fruity, apple-like or unripe-plum odor and a corresponding sweet taste. May be synthesized by prolonged boiling of n-hexyl alcohol and formic acid, or by azeotropic distillation of the alcohol and isopropyl formate.

Chemical Properties

Different sources of media describe the Chemical Properties of 629-33-4 differently. You can refer to the following data:
1. Hexyl formate has a fruity, apple-like or unripe-plum odor; corresponding sweet taste.
2. Colorless liquid

Occurrence

Reported found in peach, grape, apple, strawberry, tea, plum, licorice, corn oil, wax gourd and black choke cherry

Preparation

By prolonged boiling of n-hexyl alcohol and formic acid, or by azeotropic distillation of the alcohol and isopropyl formate

InChI:InChI=1/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3

Upstream product

• 109-94-4 formic acid ethyl ester 
• 111-27-3 hexan-1-ol 
• 121393-39-3 5,10,15,20-tetra(2,4,6-trimethylphenyl)porphyrinate rhodium(II) 
• 112-58-3 dihexyl ether 
• 592-41-6 1-hexene 
• 64-18-6 formic acid 
• 123-76-2 levulinic acid 
• 5363-64-4 1-(ethenyloxy)hexane 
• 84-75-3 dihexyl phthalate 
• 111-70-6 n-heptan1ol 
• 3197-61-3 N-formylimidazole 
• 134965-38-1 Hex-1-en-2-yl formate 
• 4459-32-9 trihexylorthoformate 
• 544-10-5 1-Chlorohexane 

Downstream Products

• 15468-10-7 methanehydroxybisphosphonic acid 
• 112920-01-1 (Hexyloxy-phosphono-methyl)-phosphonic acid 
• 111-27-3 hexan-1-ol 
• 67-56-1 methanol 

Relevant articles and documents

Efficient Enzymatic Preparation of Flavor Esters in Water

A straightforward biocatalytic method for the enzymatic preparation of different flavor esters starting from primary alcohols (e.g., isoamyl, n-hexyl, geranyl, cinnamyl, 2-phenethyl, and benzyl alcohols) and naturally available ethyl esters (e.g., formate, acetate, propionate, and butyrate) was developed. The biotransformations are catalyzed by an acyltransferase from Mycobacterium smegmatis (MsAcT) and proceeded with excellent yields (80-97%) and short reaction times (30-120 min), even when high substrate concentrations (up to 0.5 M) were used. This enzymatic strategy represents an efficient alternative to the application of lipases in organic solvents and a significant improvement compared with already known methods in terms of reduced use of organic solvents, paving the way to sustainable and efficient preparation of natural flavoring agents.

Method of using swelling-able acidic poly(ionic liquid) to catalyze esterification between formic acid and alkenes to prepare formate

The invention discloses a method of using swelling-able acidic poly(ionic liquid) to catalyze esterification between formic acid and alkenes to prepare formate. According to the method, an acidic poly(ionic liquid) that can swell in formic acid is synthesized at first; 1-vinyl-3-alkyl imidazolium bromine salt ionic liquid and sodium acrylate are taken as the copolymerization monomers, and throughfree radical polymerization and acidification that uses an acid with an equal molar weight, the poly(ionic liquid) is prepared. The poly(ionic liquid) is taken as a catalyst to catalyze the esterification reactions between formic acid and alkenes; the catalytic activity of the poly(ionic liquid) is equal to that of a homogeneous catalyst and the selectivity is higher than that of a homogeneous catalyst or a heterogeneous catalyst. The swelling-able acidic poly(ionic liquid) is used to catalyze the esterification reactions between formic acid and alkenes, the characteristic that the poly(ionicliquid) can swell in formic acid is utilized, the poly(ionic liquid) is fully dispersed in the substrate, at the same time, the active centers of the acid are immobilized on the poly(ionic liquid), thus the active centers can fully contact with the substrate, and the catalytic efficiency is largely improved.

Room-temperature selective aliphatic carbon-carbon bond activation and functionalization of ethers by rhodium(II) porphyrin

Selective aliphatic carbon(α)-carbon(β) bond activation of ethers by (5,10,15,20-tetramesitylporphyrinato)rhodium(II) (Rh(tmp) (1)) was achieved at room temperature to yield corresponding rhodium porphyrin alkyls and the functionalized esters. Rh(tmp)OH was the proposed intermediate responsible for cleaving the C(α)-C(β) bond. The reaction is general for both straight- and branch-chain ethers.