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

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

Uses

Used in Flavor Industry:
Hexyl formate is used as a flavoring agent for its fruity, apple-like or unripe-plum odor and sweet taste. It is commonly used in the food and beverage industry to enhance the flavor of various products.
Used in Fragrance Industry:
Hexyl formate is used as a fragrance ingredient in the perfumery and cosmetics industry. Its pleasant and fruity scent makes it a popular choice for creating various fragrances and scented products.
Used in Chemical Industry:
Hexyl formate can be used as a chemical intermediate in the synthesis of other organic compounds. Its unique chemical properties make it a valuable building block for the production of various chemicals and materials.

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

• 68-12-2 N,N-dimethyl-formamide 
• 111-27-3 hexan-1-ol 
• 646-06-0 1,3-DIOXOLANE 
• 74-85-1 ethene 
• 4459-32-9 trihexylorthoformate 
• 111-70-6 n-heptan1ol 
• 5363-64-4 1-(ethenyloxy)hexane 
• 592-41-6 1-hexene 
• 64-18-6 formic acid 
• 123-76-2 levulinic acid 
• 109-94-4 formic acid ethyl ester 
• 121393-39-3 5,10,15,20-tetra(2,4,6-trimethylphenyl)porphyrinate rhodium(II) 
• 112-58-3 dihexyl ether 
• 84-75-3 dihexyl phthalate 

Downstream Products

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

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 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.

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.

Deep eutectic solvent choline chloride·2CrCl3·6H2O: An efficient catalyst for esterification of formic and acetic acid at room temperature

A highly efficient and selective method for esterification of formic and acetic acid with alcohols has been achieved at room temperature, with the choline chloride (ChCl)/chromium(iii) chloride hexahydrate (CrCl3·6H2O) deep eutectic solvent as a catalyst. High yields and good selectivities of organic esters are obtained using DES [ChCl][CrCl3·6H2O]2 with the molar ratio 5:1 (carboxylic acids:alcohols) at room temperature in 24 h. The ease of recovery and reusability of DES with high catalytic activity makes this method efficient and practical.

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.

Oxidative C-C bond cleavage of primary alcohols and vicinal diols catalyzed by H5PV2Mo10O40 by an electron transfer and oxygen transfer reaction mechanism

Primary alcohols such as 1-butanol were oxidized by the H5PV2Mo10O40 polyoxometalate in an atypical manner. Instead of C-H bond activation leading to the formation of butanal and butanoic acid, C-C bond cleavage took place leading to the formation of propanal and formaldehyde as initial products. The latter reacted with the excess 1-butanol present to yield butylformate and butylpropanate in additional oxidative transformations. Kinetic studies including measurement of kinetic isotope effects, labeling studies with 18O labeled H5PV2Mo10O40, and observation of a prerate determining step intermediate by 13C NMR leads to the formulation of a reaction mechanism based on electron transfer from the substrate to the polyoxometalate and oxygen transfer from the reduced polyoxometalate to the organic substrate. It was also shown that vicinal diols such as 1,2-ethanediol apparently react by a similar reaction mechanism. Copyright

Corona-induced photoxidation of alcohols and hydrocarbons over TiO 2 in the absence of a UV light source - A novel and environmentally friendly method for oxidation

Corona-induced photooxidation is a novel oxidation methodology for the efficient oxidation of alcohols and hydrocarbons utilizing the advantage of both the high oxidizing power of ozone formed in the reactor as well as the photooxidation capability of the UV light generated during the corona discharge. The Royal Society of Chemistry 2005.

Preparation of levulinic acid esters and formic acid esters from biomass and olefins; compositons prepared thereby; and uses of the compositions as fuel additives

This invention relates to a process for producing a mixture of levulinic acid esters and formic acid esters from biomass and olefins, and the composition prepared therefrom. This invention also relates to usage of the mixture of these esters as fuel and as fuel additives for gasoline fuel, diesel fuel, and biofuel.

Novel photolactonisation from xanthenoic esters

In the context of our work on photocleavable fragrance precursors, we have discovered a new photo-fragmentation of xanthenoic esters into xanthene- and formyl radicals. This homolytic cleavage has not been reported previously. Thus, unsaturated formyl radicals cyclise to lactones of various ring size.

'Oxenoid' oxygen insertion vs. a radical mechanism in the oxidation of alkanes and alcohols: The case of aromatic peracids

Adamantane is oxidised by MCPBA in a free-radical process, whose selectivity is discussed; by this method, cyclohexanol can be directly oxidised to caprolactone.