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6938-45-0

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6938-45-0 Usage

Chemical Properties

Benzyl hexanoate has a sweet, mild fruity, slightly green odor, reminiscent of apricot, but with a distinctly floral note. It is used in imitation pineapple and apricot flavors.

Occurrence

Reportedly present in passion fruit and juice (Passiflora edulis L.).

Preparation

Prepared by reaction of benzyl alcohol with hexanoic acid in the presence of catalyst, methansulfonic acid.

Aroma threshold values

Aroma characteristics at around 1.0%: sweet, chemical fruity and slightly lactonic, pineapple and slightly tropical.

Taste threshold values

Taste characteristics at around 5.0 ppm: sweet, tropical, ripe fruity pineapple with a candy nuance.

Check Digit Verification of cas no

The CAS Registry Mumber 6938-45-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,9,3 and 8 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 6938-45:
(6*6)+(5*9)+(4*3)+(3*8)+(2*4)+(1*5)=130
130 % 10 = 0
So 6938-45-0 is a valid CAS Registry Number.
InChI:InChI=1/C16H14Cl3NO5/c1-23-10-4-7(5-11(24-2)15(10)25-3)16(22)20-9-6-8(17)14(21)13(19)12(9)18/h4-6,21H,1-3H3,(H,20,22)

6938-45-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name Benzyl Hexanoate

1.2 Other means of identification

Product number -
Other names BENZYL HEXANOATE

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:6938-45-0 SDS

6938-45-0Relevant articles and documents

Heterogeneous Metal–Organic-Framework-Based Biohybrid Catalysts for Cascade Reactions in Organic Solvent

Wang, Yangxin,Zhang, Ningning,Zhang, En,Han, Yunhu,Qi, Zhenhui,Ansorge-Schumacher, Marion B.,Ge, Yan,Wu, Changzhu

, p. 1716 - 1721 (2019)

In cooperative catalysis, the combination of chemo- and biocatalysts to perform one-pot reactions is a powerful tool for the improvement of chemical synthesis. Herein, UiO-66-NH2 was employed to stepwise immobilize Pd nanoparticles (NPs) and Candida antarctica lipase B (CalB) for the fabrication of biohybrid catalysts for cascade reactions. Distinct from traditional materials, UiO-66-NH2 has a robust but tunable structure that can be utilized with a ligand exchange approach to adjust its hydrophobicity, resulting in excellent catalyst dispersity in diverse reaction media. These attractive properties contribute to the formation of MOF-based biohybrid catalysts with high activity and selectivity in the synthesis of benzyl hexanoate from benzaldehyde and ethyl hexanoate. With this proof-of-concept, we reasonably expect that future tailor-made MOFs can combine other catalysts, ranging from chemical to biological catalysts for applications in industry.

Membrane transport inspired hydrolysis of non-activated esters at near physiological pH

Mandal, Raki,Mahanty, Kingshuk,Mandal, Subhendu,De Sarkar, Suman,Tarafdar, Pradip K.

, p. 11088 - 11091 (2021/10/30)

A positively charged micelle loaded with substrates was transported selectively to the reaction site (cathode) to promote the proximity and localization of the reactants (ester and hydroxide). The guided vehicular delivery coupled with electrolysis allows the hydrolysis of non-activated esters at near physiological pH with significant yields along with recyclability.

Carboxylic Acid Reductase Can Catalyze Ester Synthesis in Aqueous Environments

Pongpamorn, Pornkanok,Kiattisewee, Cholpisit,Kittipanukul, Narongyot,Jaroensuk, Juthamas,Trisrivirat, Duangthip,Maenpuen, Somchart,Chaiyen, Pimchai

supporting information, p. 5749 - 5753 (2021/02/01)

Most of the well-known enzymes catalyzing esterification require the minimization of water or activated substrates for activity. This work reports a new reaction catalyzed by carboxylic acid reductase (CAR), an enzyme known to transform a broad spectrum of carboxylic acids into aldehydes, with the use of ATP, Mg2+, and NADPH as co-substrates. When NADPH was replaced by a nucleophilic alcohol, CAR from Mycobacterium marinum can catalyze esterification under aqueous conditions at room temperature. Addition of imidazole, especially at pH 10.0, significantly enhanced ester production. In comparison to other esterification enzymes such as acyltransferase and lipase, CAR gave higher esterification yields in direct esterification under aqueous conditions. The scalability of CAR catalyzed esterification was demonstrated for the synthesis of cinoxate, an active ingredient in sunscreen. The CAR esterification offers a new method for green esterification under high water content conditions.

Environmentally benign decarboxylative: N-, O-, and S-Acetylations and acylations

Ghosh, Santanu,Purkait, Anisha,Jana, Chandan K.

supporting information, p. 8721 - 8727 (2020/12/30)

An operationally simple and general method for acetylation and acylation of a wide variety of substrates (amines, alcohols, phenols, thiols, and hydrazones) has been reported. Meldrum's acid and its derivatives have been used as an air-stable, non-volatile, cost-effective, and easy to handle acetylating/acylating agent. Easily separable byproducts (CO2 and acetone) allowed the isolation of analytically pure acetylated products without the requirement of work-up and any chromatography. This journal is

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