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4864-61-3

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4864-61-3 Usage

Description

3-Octyl acetate has a characteristic, complex aroma with a rose and jasmine note and an apple-lemon undertone with a sweet, peach-like flavor.

Chemical Properties

3-Octyl acetate has a characteristic, complex aroma with a rose and jasmine note and an apple-lemon undertone with a sweet, peach-like flavor.

Occurrence

Reported found in the peppermint and pennyroyal oil (Mentha pulegium L.), spearmint oil (Mentha spicata L.), Scotch spearmint oil (Mentha cardiaca Ger.), other Mentha oils and heated beef fat.

Taste threshold values

Taste characteristics at 10 ppm: green, oily and waxy with a weak minty and tropical nuance.

Check Digit Verification of cas no

The CAS Registry Mumber 4864-61-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,8,6 and 4 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 4864-61:
(6*4)+(5*8)+(4*6)+(3*4)+(2*6)+(1*1)=113
113 % 10 = 3
So 4864-61-3 is a valid CAS Registry Number.

4864-61-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-OCTYL ACETATE

1.2 Other means of identification

Product number -
Other names 3-Octylacetat

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:4864-61-3 SDS

4864-61-3Relevant articles and documents

Consecutive addition esterification and hydrolysis of cyclic olefins catalyzed by multi-SO3H functionalized multi heteropolyanion-based ionic hybrids undersolvent-free conditions

Zheng, Guocai,Li, Xinzhong

, p. 933 - 941 (2019/03/17)

An efficient protocol for the synthesis of cycloalkyl carboxylates and alcohols from cyclic olefins is described. The cyclic olefins were converted to corresponding target molecules under solvent-free conditions catalyzed by two novel multi-SO3H functionalized multi heteropolyanion-based ionic hybrids through one-pot consecutive addition esterification and hydrolysis reactions. This approach has several advantages, including high yield, simple workup and simple purification.

Stabilization of long-chain intermediates in solution. octyl radicals and cations

Teodorovi?, Aleksandar V.,Badjuk, Dalibor M.,Stevanovi?, Nenad,Pavlovi?, Radoslav Z.

, p. 19 - 24 (2013/06/26)

The rearrangements of 1-octyl, 1-decyl and 1-tridecyl intermediates obtained from thermal lead(IV) acetate (LTA) decarboxylation of nonanoic, undecanoic and tetradecanoic acid were investigated experimentally through analysis and distribution of the products. The relationships between 1,5-, 1,6- and possibly existing 1,7-homolytic hydrogen transfer in 1-octyl-radical, as well as successive 1,2-hydride shift in corresponding cation have been computed via Monte-Carlo method. Taking into account that ratios of 1,5-/1,6-homolytic rearrangements in 1-octyl- and 1-tridecyl radical are approximately the same, the simulation shows very low involvement of 1,7-hydrogen rearrangement (1,5-/1,6-/1,7-hydrogen rearrangement = 85:31:1) in 1-octyl radical.

An algorithm for the deconvolution of mass spectrosopic patterns in isotope labeling studies. Evaluation for the hydrogen-deuterium exchange reaction in ketones

Gruber, Christian C.,Oberdorfer, Gustav,Voss, Constance V.,Kremsner, Jennifer M.,Kappe, C. Oliver,Kroutil, Wolfgang

, p. 5778 - 5783 (2008/02/10)

(Graph Presented) An easy to use computerized algorithm for the determination of the amount of each labeled species differing in the number of incorporated isotope labels based on mass spectroscopic data is described and evaluated. Employing this algorithm, the microwave-assisted synthesis of various α-labeled deuterium ketones via hydrogen-deuterium exchange with deuterium oxide was optimized with respect to time, temperature, and degree of labeling. For thermally stable ketones the exchange of α-protons was achieved at 180°C within 40-200 min. Compared to reflux conditions, the microwave-assisted protocol led to a reduction of the required reaction time from 75-94 h to 40-200 min. The α-labeled deuterium ketones were reduced by biocatalytic hydrogen transfer to the corresponding enantiopure chiral alcohols and the deconvolution algorithm validated by regression analysis of a mixture of labeled and unlabeled ketones/alcohols.

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