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624-54-4

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624-54-4 Usage

Chemical Properties

CLEAR COLOURLESS LIQUID

Uses

Pentyl propionate, an ester, has been employed for the evaluation of experimental values of HEm and VEm at 318.15K for the binary mixtures of alkyl propanoates with alkanes.

Definition

ChEBI: A propanoate ester of pentan-1-ol.

General Description

Colorless liquid with an apple-like odor. Floats on water.

Reactivity Profile

N-PENTYL PROPIONATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire [USCG, 1999].

Health Hazard

Exposure can cause irritation of eyes, nose and throat.

Fire Hazard

Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire.

Flammability and Explosibility

Flammable

Safety Profile

Low toxicity by ingestion and skin contact. An eye irritant. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes.

Check Digit Verification of cas no

The CAS Registry Mumber 624-54-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,2 and 4 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 624-54:
(5*6)+(4*2)+(3*4)+(2*5)+(1*4)=64
64 % 10 = 4
So 624-54-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3

624-54-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name pentyl propanoate

1.2 Other means of identification

Product number -
Other names Propanoic 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:624-54-4 SDS

624-54-4Synthetic route

pentan-1-ol
71-41-0

pentan-1-ol

propionic acid
802294-64-0

propionic acid

amyl propionate
624-54-4

amyl propionate

Conditions
ConditionsYield
With Rhizomucor miehei lipase In n-heptane at 40℃; for 24h; Enzymatic reaction;96.8%
With sodium hydrogen sulfate for 0.7h; Esterification; Heating;88.5%
With di-isopropyl ether; toluene-4-sulfonic acid for 12h;79.5%
pentan-1-ol
71-41-0

pentan-1-ol

vinyl propionate
105-38-4

vinyl propionate

amyl propionate
624-54-4

amyl propionate

Conditions
ConditionsYield
With lipase B from Candida sp. expressed in Aspergillus niger In aq. buffer for 20h; pH=7.2; Green chemistry; Enzymatic reaction;95.5%
pentan-1-ol
71-41-0

pentan-1-ol

propionyl chloride
79-03-8

propionyl chloride

amyl propionate
624-54-4

amyl propionate

Conditions
ConditionsYield
With zinc In benzene for 0.1h; Esterification;90%
1-Bromopentane
110-53-2

1-Bromopentane

sodium proprionate
137-40-6

sodium proprionate

amyl propionate
624-54-4

amyl propionate

Conditions
ConditionsYield
With Aliquat 336 at 120℃;85%
pentan-1-ol
71-41-0

pentan-1-ol

propionic acid boron fluoride

propionic acid boron fluoride

amyl propionate
624-54-4

amyl propionate

ethene
74-85-1

ethene

pentan-1-ol
71-41-0

pentan-1-ol

carbon monoxide
201230-82-2

carbon monoxide

amyl propionate
624-54-4

amyl propionate

Conditions
ConditionsYield
pyridine; dicobalt octacarbonyl at 160℃; under 90009 Torr; for 2.5h; Kinetics;
With bis(acetylacetonato)palladium(II); 1,1’-ferrocenediyl-bis(tert-butyl(pyridin-2-yl)phosphine); toluene-4-sulfonic acid at 80℃; for 20h; Autoclave; Inert atmosphere;
pentan-1-ol
71-41-0

pentan-1-ol

A

n-pentyl formate
638-49-3

n-pentyl formate

B

amyl propionate
624-54-4

amyl propionate

Conditions
ConditionsYield
With H5V2Mo10O40*34H2O In sulfolane at 80℃; under 750.075 Torr; for 5h; Reactivity; Inert atmosphere;
3-octanone
106-68-3

3-octanone

amyl propionate
624-54-4

amyl propionate

Conditions
ConditionsYield
With AFL838 recombinant BVMO from Aspergillus flavus NRRL3357 In methanol at 20℃; for 2h; pH=8; Reagent/catalyst; Baeyer-Villiger Ketone Oxidation; Enzymatic reaction; regioselective reaction;
With D-Glucose; Aspergillus flavus Baeyer-Villiger monooxygenaseAFL838; nicotinamide adenine dinucleotide phosphate In aq. buffer at 20℃; for 8h; pH=8; Catalytic behavior; Kinetics; Baeyer-Villiger Ketone Oxidation; Enzymatic reaction; regioselective reaction;
3-octanone
106-68-3

3-octanone

A

Ethyl hexanoate
123-66-0

Ethyl hexanoate

B

amyl propionate
624-54-4

amyl propionate

Conditions
ConditionsYield
With D-(+)-glucose In aq. buffer at 15℃; for 16h; Overall yield = 44.3 %;
With glucose dehydrogenase; D-glucose; potassium chloride; NADPH In aq. buffer at 30℃; pH=8.5; Baeyer-Villiger Ketone Oxidation; Enzymatic reaction; regioselective reaction;
pentan-1-ol
71-41-0

pentan-1-ol

N-propionyl-4,6-dimethyl-pyrimidine-2-thione

N-propionyl-4,6-dimethyl-pyrimidine-2-thione

A

amyl propionate
624-54-4

amyl propionate

B

4,6-dimethyl-pyrimidine-2-thione
22325-27-5

4,6-dimethyl-pyrimidine-2-thione

Conditions
ConditionsYield
Heating;
oct-1-ene
111-66-0

oct-1-ene

amyl propionate
624-54-4

amyl propionate

rac-(1S,2S)-1-ethyl-2-hexylcyclopropanol

rac-(1S,2S)-1-ethyl-2-hexylcyclopropanol

Conditions
ConditionsYield
Stage #1: oct-1-ene; amyl propionate With aluminum (III) chloride; zirconocene dichloride; ethylaluminum dichloride; magnesium In tetrahydrofuran at 0 - 22℃; for 10h; Inert atmosphere;
Stage #2: With hydrogenchloride; water In tetrahydrofuran; hexane Inert atmosphere; diastereoselective reaction;
25%
amyl propionate
624-54-4

amyl propionate

dimethyl cis-but-2-ene-1,4-dioate
624-48-6

dimethyl cis-but-2-ene-1,4-dioate

3-Methoxycarbonyl-2-methyl-pentanedioic acid 5-methyl ester 1-pentyl ester
76086-37-8

3-Methoxycarbonyl-2-methyl-pentanedioic acid 5-methyl ester 1-pentyl ester

Conditions
ConditionsYield
With di-tert-butyl peroxide at 164℃; for 6h;24 % Turnov.
amyl propionate
624-54-4

amyl propionate

A

pentan-1-ol
71-41-0

pentan-1-ol

B

propionic acid
802294-64-0

propionic acid

Conditions
ConditionsYield
With Dowex 50Wx4 cation-exchange resin In 1,4-dioxane at 44.84℃; Equilibrium constant; Temperature;
(+/-)-2-pentanol
6032-29-7

(+/-)-2-pentanol

amyl propionate
624-54-4

amyl propionate

1-methylbutyl propanoate
54004-43-2

1-methylbutyl propanoate

Conditions
ConditionsYield
With Novozym 435 at 70℃; Enzymatic reaction; enantioselective reaction;

624-54-4Relevant articles and documents

Heterogeneous catalysed esterification of propionic acid with n-amyl alcohol over a microporous cation-exchange resin dowex 50wx4

Erdem, Beyhan,Izci, Alime

, p. 781 - 793 (2010)

Kinetics of heterogeneous catalysed esterification of propionic acid with n-amyl alcohol was studied with a microporous cation-exchange resin catalyst, Dowex 50Wx4, in a stirred batch reactor to synthesise amyl propionate. Effects of various parameters such as speed of agitation, catalyst loading, and reaction temperature on reaction rate were investigated. The equilibrium conversion of propionic acid increased with in catalyst loading and reaction temperature. Stirrer speed had virtually no effect on the reaction rate under the experimental conditions. The apparent activation energy was found to be 43.167 kJmolK1 for the formation of amyl propionate and the equilibrium constant, which is independent of temperature ranging from 318 to 348 K, was found to be 4.05. It was also observed that the initial reaction rate decreased with water concentrations and increased with that of acid and increased with that of alcohol linearly. The reaction was found to occur between an adsorbed acid molecule and a molecule of alcohol in the bulk and it was concluded that the reaction mechanism can be represented by Eley-Rideal model. by Oldenbourg Wissenschaftsverlag, Muenchen.

Method for synthesizing propionate through ester-ester exchange path

-

Paragraph 0030-0031, (2019/04/04)

The invention provides a method for synthesizing propionate through an ester-ester exchange path and relates to a method for synthesizing the propionate. According to the method, reaction raw materials include, but are not limited to ethyl formate, propyl formate, butyl formate, ethyl acetate, propyl acetate, butyl acetate and the like; the method for synthesizing the propionate through an ester exchange one-step method is adopted. A catalyst comprises alkaline materials including ionic liquid, soluble strong base, solid base and the like respectively; the catalyst has the advantages of high catalysis efficiency and no pollution. By taking methyl propionate and ethyl acetate reaction as an example, KOH is used as the catalyst, the mol ratio of the raw materials is 1 to 1, the reaction temperature is 60 DEG C and the reaction time is 5 min; the conversion ratios of the methyl propionate and the ethyl acetate can reach 70 percent or more; products comprise ethyl propionate and the methylacetate. The whole reaction path has the characteristics of short synthetic route, simple technological flow and high yield and the catalyst is stable, does not become inactive and can be repeatedlyutilized.

Biocatalytic Characterization of Human FMO5: Unearthing Baeyer-Villiger Reactions in Humans

Fiorentini, Filippo,Geier, Martina,Binda, Claudia,Winkler, Margit,Faber, Kurt,Hall, Mélanie,Mattevi, Andrea

, p. 1039 - 1048 (2016/05/19)

Flavin-containing mono-oxygenases are known as potent drug-metabolizing enzymes, providing complementary functions to the well-investigated cytochrome P450 mono-oxygenases. While human FMO isoforms are typically involved in the oxidation of soft nucleophiles, the biocatalytic activity of human FMO5 (along its physiological role) has long remained unexplored. In this study, we demonstrate the atypical in vitro activity of human FMO5 as a Baeyer-Villiger mono-oxygenase on a broad range of substrates, revealing the first example to date of a human protein catalyzing such reactions. The isolated and purified protein was active on diverse carbonyl compounds, whereas soft nucleophiles were mostly non- or poorly reactive. The absence of the typical characteristic sequence motifs sets human FMO5 apart from all characterized Baeyer-Villiger mono-oxygenases so far. These findings open new perspectives in human oxidative metabolism.

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