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3-Thietanone, also known as 2,3-Dihydrothiophen-2-one, is a colorless liquid chemical compound with the molecular formula C4H6OS. It is characterized by a strong, unpleasant odor and is highly flammable. 3-Thietanone is recognized for its use as a synthetic intermediate in various industries, particularly in the production of pharmaceuticals and agrochemicals, as well as in the creation of flavors and fragrances due to its distinct smell. However, it is also known to be an irritant to the respiratory system and skin, and exposure to high levels can lead to adverse health effects such as headaches, dizziness, and nausea. Moreover, 3-Thietanone has been identified as toxic to aquatic life and capable of bioaccumulation in the environment, necessitating careful handling and disposal to mitigate its impact on both human health and the ecosystem.

22131-92-6

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22131-92-6 Usage

Uses

Used in Pharmaceutical Industry:
3-Thietanone is used as a synthetic intermediate for the production of various pharmaceuticals. Its unique chemical structure allows it to serve as a building block in the synthesis of a range of medicinal compounds, contributing to the development of new drugs and therapies.
Used in Agrochemical Industry:
In the agrochemical sector, 3-Thietanone is utilized as a key intermediate in the synthesis of pesticides and other crop protection agents. Its role in this industry is crucial for the development of effective and targeted solutions to protect crops from pests and diseases.
Used in Flavor and Fragrance Industry:
3-Thietanone is employed in the manufacturing of flavors and fragrances due to its distinct and strong odor. It is used to create unique scents and tastes in a variety of consumer products, including food, beverages, and cosmetics.

Check Digit Verification of cas no

The CAS Registry Mumber 22131-92-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,2,1,3 and 1 respectively; the second part has 2 digits, 9 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 22131-92:
(7*2)+(6*2)+(5*1)+(4*3)+(3*1)+(2*9)+(1*2)=66
66 % 10 = 6
So 22131-92-6 is a valid CAS Registry Number.
InChI:InChI=1/C3H4OS/c4-3-1-5-2-3/h1-2H2

22131-92-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Thietan-3-one

1.2 Other means of identification

Product number -
Other names Thietan-3-on

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:22131-92-6 SDS

22131-92-6Relevant academic research and scientific papers

Synthesis and structural analysis of a new class of azaspiro[3.3]heptanes as building blocks for medicinal chemistry

Burkhard, Johannes A.,Guerot, Carine,Knust, Henner,Rogers-Evans, Mark,Carreira, Erick M.

supporting information; experimental part, p. 1944 - 1947 (2010/07/04)

Figure presented Straightforward access toward previously unreported substituted, heterocyclic spiro[3.3]heptanes is disclosed. These spirocyclic systems may be considered as alternatives to 1,3-heteroatom-substituted cyclohexanes, which are otherwise insufficiently stable to allow their use in drug discovery. Conformational details are discussed on the basis of X-ray crystallographic structures.

REACTIONS OF α-DIAZO-KETONES-V; ETHER OXYGEN PARTICIPATION IN THE ACETOLYSIS OF α'-PHENOXY- AND α'-DIPHENYLMETHOXY-α-DIAZO-KETONES

Pusino, A.,Rosnati, V.,Solinas, C.,Vettori, U.

, p. 2259 - 2264 (2007/10/02)

The acetolysis of α-diazo-ketones 1a-d, 2 and 3a, b, c have been studied.The results obtained for 1a-d indicate that migration of the phenoxy group represents an important, alternative pathway to normal substitution only if a tertiary carbonium ion or a cyclic transition state, with the incipient positive charge located on a tertiary C atom, is involved in the reaction.Normal substitution was the only process in the case of 2 and 3a; instead, 3b and 3c gave in addition diphenylmethyl acetate and the corresponding 2-substituted-3-oxetanone, 17 and 19, produced by a cyclic mechanism involving the intermediate formation of oxonium ions 26b and 26c, respectively.

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