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540-07-8

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540-07-8 Usage

Chemical Properties

Amyl hexanoate has a charcteristic fruit-like (banana, pineapple) aroma.

Occurrence

Reported in fresh apple, apple juice, apricot (Prunus armeniaca L.), Vitis labrusca L., other Vitis species, strawberry fruit, blue cheese, beer, rum, cider, white wine, soybean, yellow passion fruit juice, fresh plum, other varieties of mushroom, Chinese quince peel and other natural sources.

Preparation

By esterification of hexanoic acid with n-amyl alcohol in benzene solution in the presence of p-toluenesulfonic acid.

Taste threshold values

Taste characteristics at 20 ppm: green, waxy, sweet and fruity with cognac-like notes.

Synthesis Reference(s)

The Journal of Organic Chemistry, 35, p. 3167, 1970 DOI: 10.1021/jo00834a075

Check Digit Verification of cas no

The CAS Registry Mumber 540-07-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,4 and 0 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 540-07:
(5*5)+(4*4)+(3*0)+(2*0)+(1*7)=48
48 % 10 = 8
So 540-07-8 is a valid CAS Registry Number.
InChI:InChI=1/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3

540-07-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name PENTYL HEXANOATE

1.2 Other means of identification

Product number -
Other names Hexanoic Acid Pentyl Ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:540-07-8 SDS

540-07-8Relevant articles and documents

METHOD FOR MANUFACTURING ESTER

-

Paragraph 0070; 0076; 0098; 0100, (2013/08/28)

The present invention relates to a method for manufacturing an ester from a ketone or an aldehyde, which is a reactive substrate, by a Baeyer-Villiger oxidation reaction using hydrogen peroxide, and in this method, as a catalyst, M(BAr4)n, which is a metal borate, is used (M represents an alkali metal or an alkaline earth metal; Ar represents an aryl; and n is the same number as the valence of M). For example, when cyclohexanone was used as the reactive substrate, and Sr[B(3,5-CF3C6H3)4]2 was used as the catalyst, ε-caprolactone was obtained at an isolated yield of 82%.

Optimized synthesis of (Z)-3-hexen-1-yl caproate using germinated rapeseed lipase in organic solvent

Liaquat, Muhammad

scheme or table, p. 59 - 65 (2011/07/31)

(Z)-3-hexen-1-yl esters are important green top-note components of food flavors and fragrances. Effects of various process conditions on (Z)-3-hexen-1-yl caproate synthesis employing germinated rapeseed lipase acetone powder in organic solvent were investigated. Rapeseed lipase catalyzed ester formation more efficiently with non-polar compared to polar solvents despite high enzyme stability in both types of solvents. Maximum ester yield (90%) was obtained when 0.125 M (Z)-3-hexen-1-ol and caproic acid were reacted at 25 °C for 48 h in the presence of 50 g/L enzyme in heptane. Enzyme showed little sensitivity towards aw with optimum yield at 0.45, while added water did not affect ester yield. Esterification reduced by increasing molecular sieves (>0.0125%, w/v). The highest yields of caproic acid were obtained with isoamyl alcohol (93%) followed by butanol and (Z)-3-hexen-1-o1 (88%) respectively reflecting the enzyme specificity for straight and branched chain alcohols. Secondary alcohols showed low reactivity, while tertiary alcohol had either very low reactivity or not esterified at all. A good relationship has been found between ester synthesis and the solvent polarity (log P value); while no correlation for the effect of solvents on residual enzyme activity was observed. It may be concluded that germinated rapeseed lipase is a promising biocatalyst for the synthesis of valuable green flavor note compound. The enzyme also showed a wide range of temperature stability (5-50 °C).

Catalytic performance of CuO/ZnAl2O4-Al2O3 catalysts in n-hexanol conversion

Grabowska,Zawadzki,Wrzyszcz

, p. 779 - 787 (2007/10/03)

A series of CuO/ZnAl2O4-Al2O3 catalysts with various CuO loading were prepared by an impregnation method. The effect of copper oxide addition for the reaction of n-hexanol was examined. The reactions were carried out at atmospheric pressure in a fixed bed reactor in the temperature range of 533-663 K. Experimental data show that the addition of copper oxide into studied catalysts does improve the activity in dehydrogenation of alcohol. Catalysts containing CuO have both dehydration and dehydrogenation properties, whereas ZnAl2O4-Al2O3 carrier only dehydrates alcohol. Obtained results indicate that the dehydrogenation of n-hexanol over CuO/ZnAl2O4-Al2O3 catalysts proceeds via carboxy intermediate.

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