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6976-72-3

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6976-72-3 Usage

Description

N-HEPTYL CAPROATE, also known as heptyl caproate, is a chemical compound characterized by its fruity, green apple-like odor. It is an ester, which means it is formed from the reaction between an alcohol and a carboxylic acid.
Used in Food Industry:
N-HEPTYL CAPROATE is used as a flavoring agent and food additive for imparting a sweet, fruity note to various food products.
Used in Fragrance Industry:
N-HEPTYL CAPROATE is used as a component in the creation of perfumes and other fragrances due to its pleasant aroma.
Used in Pharmaceutical Industry:
N-HEPTYL CAPROATE may have potential applications in pharmaceutical products, although specific uses are not detailed in the provided materials.
Used in Cosmetic Industry:
N-HEPTYL CAPROATE may also have potential applications in cosmetic products, but specific uses are not detailed in the provided materials.

Check Digit Verification of cas no

The CAS Registry Mumber 6976-72-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,9,7 and 6 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 6976-72:
(6*6)+(5*9)+(4*7)+(3*6)+(2*7)+(1*2)=143
143 % 10 = 3
So 6976-72-3 is a valid CAS Registry Number.
InChI:InChI=1/C13H26O2/c1-3-5-7-8-10-12-15-13(14)11-9-6-4-2/h3-12H2,1-2H3

6976-72-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name heptyl hexanoate

1.2 Other means of identification

Product number -
Other names Hexansaeure-heptylester

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:6976-72-3 SDS

6976-72-3Downstream Products

6976-72-3Relevant articles and documents

Aerobic Self-Esterification of Alcohols Assisted by Mesoporous Manganese and Cobalt Oxide

Moharreri, Ehsan,Biswas, Sourav,Deljoo, Bahareh,Kriz, David,Lim, Seyoung,Elliott, Sarah,Dissanayake, Shanka,Dabaghian, Marina,Aindow, Mark,Suib, Steven L.

, p. 3413 - 3422 (2019/08/01)

Aerobic self-esterification of primary alcohols catalyzed by mesoporous metal oxides (manganese and cobalt oxides) is reported under base and solvent free conditions. For a range of aliphatic alcohols, up to 90 % conversions to esters was achieved. The catalytic reaction is likewise applicable to neat aldehydes as substrates with yields of up to 86 %. High pressure batch reaction for ethanol to ethyl acetate led to 22 % yield. Isotope labeling studies indicated decarboxylation on the catalyst surface. Mechanistic and kinetic experiments implicate oxygen rebound and α-carbon removal as intermediate steps. Mesoporous cobalt oxide showed about 20 % higher catalytic activity compared to mesoporous manganese oxide.

Fractional distribution of graphene oxide and its potential as an efficient and reusable solid catalyst for esterification reactions

Mungse, Harshal P.,Bhakuni, Niharika,Tripathi, Deependra,Sharma, Om P.,Sain, Bir,Khatri, Om P.

, p. 944 - 951 (2015/02/02)

Graphene oxide (GrO) prepared by the Hummers method was separated into three different fractions (GrO5000, GrO2000, and GrOres) on the basis of their dispersion stability in the water. Infrared, nuclear magnetic resonance, X-ray photoelectron spectroscopy, and elemental analyses revealed that GrO5000 possesses a high degree of oxygen functionalities including phenolic, carboxylic, and -OSO2H groups, compared with the other fractions. The GrO5000 was found to be a highly efficient and reusable solid catalyst for the esterification of various carboxylic acids with a variety of alcohols to furnish corresponding esters in high to excellent yields. The catalytic activity of the GrO5000 was attributed to the ability of highly polar GrO5000 scaffold to adsorb/attract reactants, where the acid functionalities of GrO5000 facilitated the esterification process efficiently. The chemical and structural features of GrO5000 were discussed to understand the improved catalytic activity compared with GrO2000 and conventional solid acid catalysts.

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).

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