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4-methylpentyl benzoate is an organic ester compound formed by the reaction between 4-methylpentanol and benzoic acid. It is a clear, colorless liquid with a fruity, slightly floral odor.

5444-77-9

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5444-77-9 Usage

Uses

Used in Flavor and Fragrance Industry:
4-methylpentyl benzoate is used as a flavoring agent for food products and as a fragrance ingredient in cosmetic and personal care products due to its pleasant, fruity scent.
Used in Coatings, Adhesives, and Sealants Industry:
4-methylpentyl benzoate is used as a solvent in the manufacturing of various types of coatings, adhesives, and sealants, contributing to their performance and quality.
Used in Insect Repellent Industry:
4-methylpentyl benzoate is used in insecticide formulations due to its insect repellent properties, providing protection against insects.
Note: While 4-methylpentyl benzoate is generally considered safe for use, exposure to high concentrations may cause irritation to the skin, eyes, and respiratory system.

Check Digit Verification of cas no

The CAS Registry Mumber 5444-77-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,4 and 4 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 5444-77:
(6*5)+(5*4)+(4*4)+(3*4)+(2*7)+(1*7)=99
99 % 10 = 9
So 5444-77-9 is a valid CAS Registry Number.

5444-77-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-methylpentyl benzoate

1.2 Other means of identification

Product number -
Other names 1-Pentanol,4-methyl-,1-benzoate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
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:5444-77-9 SDS

5444-77-9Relevant academic research and scientific papers

N-Ammonium Ylide Mediators for Electrochemical C-H Oxidation

Saito, Masato,Kawamata, Yu,Meanwell, Michael,Navratil, Rafael,Chiodi, Debora,Carlson, Ethan,Hu, Pengfei,Chen, Longrui,Udyavara, Sagar,Kingston, Cian,Tanwar, Mayank,Tyagi, Sameer,McKillican, Bruce P.,Gichinga, Moses G.,Schmidt, Michael A.,Eastgate, Martin D.,Lamberto, Massimiliano,He, Chi,Tang, Tianhua,Malapit, Christian A.,Sigman, Matthew S.,Minteer, Shelley D.,Neurock, Matthew,Baran, Phil S.

supporting information, p. 7859 - 7867 (2021/05/26)

The site-specific oxidation of strong C(sp3)-H bonds is of uncontested utility in organic synthesis. From simplifying access to metabolites and late-stage diversification of lead compounds to truncating retrosynthetic plans, there is a growing need for new reagents and methods for achieving such a transformation in both academic and industrial circles. One main drawback of current chemical reagents is the lack of diversity with regard to structure and reactivity that prevents a combinatorial approach for rapid screening to be employed. In that regard, directed evolution still holds the greatest promise for achieving complex C-H oxidations in a variety of complex settings. Herein we present a rationally designed platform that provides a step toward this challenge using N-ammonium ylides as electrochemically driven oxidants for site-specific, chemoselective C(sp3)-H oxidation. By taking a first-principles approach guided by computation, these new mediators were identified and rapidly expanded into a library using ubiquitous building blocks and trivial synthesis techniques. The ylide-based approach to C-H oxidation exhibits tunable selectivity that is often exclusive to this class of oxidants and can be applied to real-world problems in the agricultural and pharmaceutical sectors.

Visible-Light-Promoted Activation of Unactivated C(sp3)-H Bonds and Their Selective Trifluoromethylthiolation

Mukherjee, Satobhisha,Maji, Biplab,Tlahuext-Aca, Adrian,Glorius, Frank

supporting information, p. 16200 - 16203 (2016/12/27)

Selective functionalization of ubiquitous C(sp3)-H bonds using visible light is a highly challenging yet desirable goal in organic synthesis. The development of such processes relies on both rational design and serendipitous discoveries from innovative tools such as screening technologies. Applying a mechanism-based screening strategy, we herein report photoredox-mediated hydrogen atom transfer catalysis for the selective activation of otherwise unactivated C(sp3)-H bonds, followed by their trifluoromethylthiolation, which has high potential as a late-stage functionalization tool. The generality of this method is exhibited through incorporation of the trifluoromethylthio group in a large number of C(sp3)-H bonds with high selectivity without the need for an excess of valuable substrate.

A facile and efficient protocol for esterification and acetalization in a PEG1000-D(A)IL/toluene thermoregulated catalyst-media combined systems

Wang, Yinglei,Zhi, Huizhen,Luo, Jun

, p. 46 - 52 (2013/09/23)

A novel efficient and recyclable temperature-dependent biphasic catalyst and reaction media combined system comprised of PEG-1000 linked dicationic acidic ionic liquid and toluene was developed and applied in esterification of aromatic acids and acetalization of aromatic aldehydes with good to excellent yields. This system is characteristic of temperature-dependent reversible biphasic property, simple and facile recyclability, high catalytic activity and extensive substrate and reaction adaptability.

Photoinduced direct cyanation of C(sp3)-H bonds

Hoshikawa, Tamaki,Yoshioka, Shun,Kamijo, Shin,Inoue, Masayuki

, p. 874 - 887 (2013/05/09)

A general and practical synthetic protocol for the direct transformation of unreactive C(sp3)-H bonds to C(sp3)-CN bonds has been developed. The homolytic cleavage of the C-H bond is initiated by photo-excited benzophenone, and the resulting carbon radical subsequently reacts with tosyl cyanide to afford the corresponding nitrile in a highly efficient manner. The present methodology is widely applicable to various starting materials including ethers, alcohols, amine derivatives, alkanes, and alkylbenzenes. This newly developed C-H cyanation protocol provides a powerful tool for selective one-carbon elongation for the construction of architecturally complex molecules. Georg Thieme Verlag Stuttgart - New York.

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