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METHYL 6-ISOTHIOCYANATOHEXANOATE, with the chemical formula C8H13NO2S, is a colorless to pale yellow liquid characterized by a pungent odor. It is a versatile chemical compound that finds applications in various industries, including the production of fragrances and flavors, synthesis of organic compounds, and as an active ingredient in agricultural and pest-control products due to its insecticidal and fungicidal properties. Moreover, its antimicrobial and antifungal properties have attracted interest in pharmaceutical applications. However, it requires careful handling due to its potential to irritate the skin, eyes, and respiratory system.

16424-87-6

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16424-87-6 Usage

Uses

Used in Fragrance and Flavor Industry:
METHYL 6-ISOTHIOCYANATOHEXANOATE is used as a key component in the production of fragrances and flavors for its distinctive aromatic properties, enhancing the sensory experience of various consumer products.
Used in Organic Synthesis:
In the field of organic synthesis, METHYL 6-ISOTHIOCYANATOHEXANOATE serves as a valuable intermediate, contributing to the creation of a wide range of organic compounds for diverse applications.
Used in Agricultural and Pest-Control Products:
METHYL 6-ISOTHIOCYANATOHEXANOATE is used as an active ingredient in agricultural and pest-control products for its insecticidal and fungicidal properties, helping to protect crops and control pests effectively.
Used in Pharmaceutical Applications:
METHYL 6-ISOTHIOCYANATOHEXANOATE is being studied for its potential use in pharmaceuticals as an antimicrobial and antifungal agent, offering a promising avenue for the development of new treatments and therapies.
Safety Precautions:
It is crucial to handle METHYL 6-ISOTHIOCYANATOHEXANOATE with care, as it is known to cause irritation to the skin, eyes, and respiratory system upon exposure. Proper safety measures should be taken to minimize the risk of adverse effects.

Check Digit Verification of cas no

The CAS Registry Mumber 16424-87-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,4,2 and 4 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 16424-87:
(7*1)+(6*6)+(5*4)+(4*2)+(3*4)+(2*8)+(1*7)=106
106 % 10 = 6
So 16424-87-6 is a valid CAS Registry Number.
InChI:InChI=1/C8H13NO2S/c1-11-8(10)5-3-2-4-6-9-7-12/h2-6H2,1H3

16424-87-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 6-isothiocyanatohexanoate

1.2 Other means of identification

Product number -
Other names 6-Isothiocyanato-hexansaeure-methylester

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:16424-87-6 SDS

16424-87-6Downstream Products

16424-87-6Relevant academic research and scientific papers

Versatile synthesis of 2′-amino-2′-deoxyuridine derivatives with a 2′-amino group carrying linkers possessing a reactive terminal functionality

Gondela, Andrzej,Tomczyk, Mateusz D.,Przypis, ?ukasz,Walczak, Krzysztof Z.

, p. 5626 - 5632 (2016/08/17)

2,2′-Anhydrouridine has been successfully converted into the appropriate 2′-amino-2′-deoxyuridine derivatives in a reaction with isothiocyanates obtained from amino acids or α,ω-diaminoalkanes. The initially formed oxazolidine-2-thione ring is cleaved under basic conditions into the corresponding 2′-amino(substituted)-2′-deoxyuridine derivatives. The implemented additional terminal functionality in the substituent attached to the 2′-amino group allows further modifications with e.g., fluorophore moiety.

Novel derivatives of benzimidazole and imidazo-pyridine and their use as medicaments

-

Page/Page column 12-14, (2008/06/13)

A compound of the formula wherein the substituents are as defined in the specification and pharmaceutical salts thereof having a good affinity for sub-types of melanocortin receptors making them useful for treating diseases in which such receptors are included such as pain, inflammatory conditions, etc.

SYNTHESIS OF ISOTHIOCYANATES FROM NON-AROMATIC NITROGEN-CONTAINING HETEROCYCLES

Gonda, Jozef,Kristian, Pavol,Mikler, Lubomir

, p. 112 - 117 (2007/10/02)

Investigation of the reaction of thiophosgene with Δ2-oxazolines I, Δ3-thiazolines II, 4H-benzothiazines III, 2-methoxypentahydro-Δ1-azepine IV, theophylline and caffeine showed that only compounds I and IV reacted to give 2-acyloxyethyl isothiocyanates and methyl 6-isothiocyanatohexanoate.The structure of these products was corroborated by IR, 1H NMR, 13C NMR and mass spectral methods.The suitability of the above-mentioned compounds to react is discussed.

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