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1-(1,3-Oxathiolane-2-yl)benzene, also known as o-xylene-2-thiol, is a chemical compound that features a benzene ring with a 1,3-oxathiolane group attached to it. 1-(1,3-Oxathiolane-2-yl)benzene is recognized for its strong odor and is classified as a hazardous chemical, necessitating careful handling and storage to avoid harmful exposure. Its unique chemical properties and reactivity render it a versatile building block in the manufacturing industry, particularly for creating a variety of polymers, resins, and other industrial materials. Furthermore, it serves as a crucial precursor in the synthesis of pharmaceuticals and agrochemicals, highlighting its importance in both the chemical and healthcare sectors.

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  • 5721-88-0 Structure
  • Basic information

    1. Product Name: 1-(1,3-Oxathiolane-2-yl)benzene
    2. Synonyms: Benzaldehyde (ethane-1,2-diyl)thioacetal;Benzaldehyde O,S-ethylenethioacetal;1-(1,3-Oxathiolane-2-yl)benzene;2-Phenyl-1,3-oxathiolane
    3. CAS NO:5721-88-0
    4. Molecular Formula: C9H10OS
    5. Molecular Weight: 166.2401
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 5721-88-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 290.5°Cat760mmHg
    3. Flash Point: 129.5°C
    4. Appearance: /
    5. Density: 1.159g/cm3
    6. Vapor Pressure: 0.00358mmHg at 25°C
    7. Refractive Index: 1.584
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-(1,3-Oxathiolane-2-yl)benzene(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-(1,3-Oxathiolane-2-yl)benzene(5721-88-0)
    12. EPA Substance Registry System: 1-(1,3-Oxathiolane-2-yl)benzene(5721-88-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 5721-88-0(Hazardous Substances Data)

5721-88-0 Usage

Uses

Used in Chemical Manufacturing:
1-(1,3-Oxathiolane-2-yl)benzene is used as a building block for the production of various polymers and resins, contributing to the structural integrity and performance of these materials. Its application in this industry is due to its ability to form stable and functional polymers with desirable properties.
Used in Pharmaceutical Synthesis:
As a precursor, 1-(1,3-Oxathiolane-2-yl)benzene is utilized in the synthesis of pharmaceuticals. Its role in this application stems from its reactivity and compatibility with other chemical compounds, enabling the creation of new and effective medications.
Used in Agrochemical Production:
1-(1,3-Oxathiolane-2-yl)benzene is also employed as a starting material in the production of agrochemicals. Its use in this industry is attributed to its potential to form compounds with pesticidal, herbicidal, or fungicidal properties, thereby contributing to agricultural productivity and crop protection.

Check Digit Verification of cas no

The CAS Registry Mumber 5721-88-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,7,2 and 1 respectively; the second part has 2 digits, 8 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 5721-88:
(6*5)+(5*7)+(4*2)+(3*1)+(2*8)+(1*8)=100
100 % 10 = 0
So 5721-88-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H10OS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9H,6-7H2

5721-88-0SDS

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 2-phenyl-1,3-oxathiolane

1.2 Other means of identification

Product number -
Other names 2-phenyl-1,3-oxathiolate

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:5721-88-0 SDS

5721-88-0Relevant articles and documents

Blue LED-Promoted Oxathiacetalization of Aldehydes and Ketones

Liu, You-Chen,Reddy, Daggula Mallikarjuna,Chen, Xin-An,Shieh, Yi-Chen,Lee, Chin-Fa

, p. 2542 - 2552 (2020/04/27)

In synthetic chemistry, the protection of aldehydes and ketones is crucial during multistep synthesis of complex molecules. Organic chemists have paid substantial attention to the synthesis of 1,3-oxathiolanes and 1,3-oxathianes because of their considera

Facile protection of carbonyl compounds as oxathiolanes and thioacetals promoted by PEG1000-based dicationic acidic ionic liquid as chemoselective and recyclable catalyst

Ren, Yi-Ming,Shao, Juan-Juan,Wu, Zhi-Chuan,Zhang, Shuai,Tao, Ting-Xian

, p. 392 - 394 (2014/06/09)

Efficient oxathioacetalization and thioacetalization of carbonyl compounds have been achieved in high yields employing PEG1000-based dicationic acidic ionic liquid as a catalyst. The PEG ionic liquid and toluene have the advantages of both homo

Silica-gel supported sulfamic acid (SA/SiO2) as an efficient and reusable catalyst for conversion of ketones into oxathioacetals and dithioacetals

Aoyama, Tadashi,Suzuki, Toshihiko,Nagaoka, Takashi,Takido, Toshio,Kodomari, Mitsuo

, p. 553 - 566 (2013/01/15)

A simple and efficient method for the conversion of carbonyl compounds to oxathioacetals and dithioacetals using SA/SiO2 as an acid catalyst has been achieved. SA/SiO2 is easily recovered from the reaction mixture and can be reused at least 15 times without loss of catalytic activity.

Nickel(II) chloride hexahydrate catalyzed reaction of aromatic aldehydes with 2-mercaptoethanol: Formation of supramolecular helical assemblage of the product

Laskar, Rajibul A.,Begum, Naznin A.,Mir, Mohammad Hedayetullah,Rohman, Md. Rumum,Khan, Abu T.

, p. 5839 - 5844 (2013/10/21)

Various aromatic aldehydes on reaction with 2-mercaptoethanol provided an unanticipated product, bis(2-hydroxyethyl)dithioacetals (3) as the major product along with the expected product 1,3-oxathiolanes (4) in the presence of 0.05 equiv amount of nickel(

An efficient method for the oxathioacetalization of carbonyl compounds using N-bromosaccharin as a catalyst

Alinezhad, Heshmatollah,Fallahi, Shahrouz

experimental part, p. 927 - 929 (2012/08/28)

A mild and highly chemoselective method for the preparation of oxathiolane from aliphatic and aromatic aldehydes and ketones with 2-mercaptoethanol in the presence of catalytic amount of N-bromosaccharin at room temperature is reported.

Helical Al- and Ce-MCM-41 materials as novel catalyst for acid and redox processes

Carrillo, Adela I.,Serrano, Elena,Serrano-Ruiz, Juan Carlos,Luque, Rafael,Garcia-Martinez, Javier

scheme or table, p. 1 - 9 (2012/10/18)

Helical mesoporous silicas containing aluminium or cerium into their framework have been synthesized via hydrothermal method. The synthesized materials were extensively characterized to understand their physico-chemical properties in view of their future catalytic applications. Low-angle powder XRD patterns of calcined samples showed a hexagonally ordered mesopore structure. NMR spectra of aluminium materials exhibited two signals at 50 and 0 ppm assigned to tetracoordinated and octahedrally coordinated Al3+. DR-UV-vis and XPS spectrum of cerium content materials show that cerium was incorporated as Ce3+ and Ce4+ into the helical mesoporous material. Materials with molar ratios Si/Al = 95 and Si/Ce = 500 were found to be catalytically active in acid (oxathioacetalisations and alkylations) or redox (epoxidation of cyclohexene) catalyzed processes, respectively.

Efficient procedure for oxathioacetalization using the novel ionic liquid

Bao, Shaohua,Chen, Lu,Ji, Yongjun,Yang, Jianguo

experimental part, p. 2119 - 2122 (2011/10/03)

The novel ionic liquid with multi-SO3H groups has been synthesized through the simple procedure and its catalytic activity for the oxathioacetalization was investigated carefully at room temperature under solvent-free condition. The results sho

Introducing catalytic activity in helical nanostructures: Microwave assisted oxathioacetalisation catalysed by Al-containing helical mesoporous silicas

Carrillo, Adela I.,Serrano, Elena,Luque, Rafael,Matinez, Javier Garcia

scheme or table, p. 5163 - 5165 (2010/10/19)

Al-containing helical mesoporous silicas have been synthesized and characterised by different techniques, showing outstanding activities (comparable to those obtained with sulfuric acid) in the oxathioacetalization of cyclohexane. The Royal Society of Che

Catalytic carbon-sulfur bond formation by amphoteric vanadyl triflate: exploring with thia-Michael addition, thioacetalization, and transthioacetalization reactions

Chen, Chien-Tien,Lin, Yow-Dzer,Liu, Cheng-Yuan

supporting information; experimental part, p. 10470 - 10476 (2010/02/28)

A series of thiols have been examined as protic nucleophiles for Michael-type additions to α,β-unsaturated carbonyls as well as double nucleophilic condensations with aldehydes, ketones, and acetals catalyzed by amphoteric, water-tolerant vanadyl triflate under mild and neutral conditions. The newly developed C-S bond formation protocols were carried out smoothly in good to high yields in a highly chemoselective manner.

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