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2639-63-6

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2639-63-6 Usage

Description

Hexyl butyrate has a characteristic fruity (apricot) odor and a sweet taste suggestive of pineapple. May be synthesized from butyric acid and n-hexyl alcohol in the presence of HCL.

Chemical Properties

Different sources of media describe the Chemical Properties of 2639-63-6 differently. You can refer to the following data:
1. Hexyl butyrate has a characteristic fruity (apricot) odor and sweet taste suggestive of pineapple.
2. Hexyl Butyrate is a liquid with a powerful fruity odor. It has been identified in a number of fruits and berries and is an important constituent of fruit flavor compositions.

Occurrence

Reported found in the essential oils of lavender and lavandin and in the oil from fruits of Heracleum giganteum. Also reported found in apple, apricot, banana, citrus peel oils, cranberry, guava, grapes, strawberry fruit and jam, thymus, Gruyere cheese, beer, cognac, rum, cider, tea, passion fruit, plum, plumcot, starfruit, mango, mountain papaya, Chinese quince peel and hog plum (Spondias mombins L.)

Definition

ChEBI: A fatty acid ester obtained by the formal condensation of hexanol with butyric acid.

Preparation

From butyric acid and n-hexyl alcohol in the presence of HCl

Aroma threshold values

Detection: 250 ppb

Taste threshold values

Taste characteristics at 10 ppm: fruity, green, waxy, fatty and vegetative.

Flammability and Explosibility

Notclassified

Check Digit Verification of cas no

The CAS Registry Mumber 2639-63-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,6,3 and 9 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 2639-63:
(6*2)+(5*6)+(4*3)+(3*9)+(2*6)+(1*3)=96
96 % 10 = 6
So 2639-63-6 is a valid CAS Registry Number.
InChI:InChI=1/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3

2639-63-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name hexyl butyrate

1.2 Other means of identification

Product number -
Other names Butanoic acid, hexyl 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:2639-63-6 SDS

2639-63-6Downstream Products

2639-63-6Relevant articles and documents

Solvent Configuration influences Enzyme Activity in Organic Media

Ottolina, Gianluca,Gianinetti, Francesca,Riva, Sergio,Carrea, Giacomo

, p. 535 - 536 (1994)

The activities of three hydrolases and one oxidoreductase have been found to be different when using (R)-carvone or (S)-carvone as the reaction medium indicating that solvent geometry can influence enzyme catalysis.

A chemically modified lipase preparation for catalyzing the transesterification reaction in even highly polar organic solvents

Solanki, Kusum,Gupta, Munishwar Nath

, p. 2934 - 2936 (2011)

Acylation of Pseudomonas cepacia lipase with Pyromellitic dianhydride to modify 72% of total amino groups was carried out. Different organic solvents were screened for precipitation of modified lipase. It was found that 1,2-dimethoxyethane was the best pr

Enzyme Access Tunnel Engineering in Baeyer-Villiger Monooxygenases to Improve Oxidative Stability and Biocatalyst Performance

Bornscheuer, Uwe,Kim, Myeong-Ju,Oh, Deok-Kun,Park, Jin-Byung,Park, Seongsoon,Park, So-Yeon,Seo, Eun-Ji

supporting information, (2021/11/10)

Hydrogen peroxide is involved in a variety of enzyme catalysis as an oxidant or toxic by-product. Thereby, attenuation of the H2O2-driven oxidative stress is one of the key issues for preparative biocatalysis. Here, a rational approach to improve the robustness of enzymes, in particular, Baeyer-Villiger monooxygenases (BVMOs) against H2O2 was investigated. The enzyme access tunnels, which may serve as exit paths for H2O2 from the active site to the bulk, were predicted by using the CAVER and/or protein energy landscape exploration (PELE) software for the phenylacetone monooxygenase variant (PAMO_C65D) from Thermobifida fusca and the BVMO from Pseudomonas putida KT2440. The amino acid residues, which are susceptible to oxidation by H2O2 (e. g., methionine and tyrosine) and located in vicinity of the predicted H2O2 migration paths, were substituted with less reactive or inert amino acids (e. g., leucine and isoleucine). This led to design of the H2O2-resistant enzyme variants, which became robust biocatalysts for synthetic applications. For instance, the H2O2-resistant P. putida BVMO reached turnover numbers of 4,100 for the BV oxygenation of 4-decanone, which is 2.8-fold greater than the parent enzyme. Moreover, the H2O2-resistant P. putida BVMO allowed 2-fold enhancement in titer of 9-(nonanoyloxy)nonanoic acid (8) formation in a cascade fatty acid biotransformation. Therefore, it was assumed that the CAVER/PELE-based H2O2 migration path engineering represents an efficient rational design approach to improve not only oxidative stability but also biotransformation performance of the H2O2-forming or utilizing enzymes (e. g., BVMOs, oxidases, and peroxidases). (Figure presented.).

Efficient Enzymatic Preparation of Flavor Esters in Water

Perdomo, Igor Chiarelli,Gianolio, Stefania,Pinto, Andrea,Romano, Diego,Contente, Martina Letizia,Paradisi, Francesca,Molinari, Francesco

, p. 6517 - 6522 (2019/06/20)

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.

Graphite oxide as an efficient solid reagent for esterification reactions

Mirza-Aghayan, Maryam,Rahimifard, Mahshid,Boukherroub, Rabah

, p. 859 - 864 (2014/12/10)

Esterification of organic acids with alcohols under mild conditions in high yields using graphite oxide, a readily available and inexpensive material, as an effective reagent is described.

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