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Benzene, 1-methyl-4-(2-propenylsulfinyl)-, commonly known as allicin, is a sulfurous chemical compound found in garlic that is responsible for its distinctive odor and taste. It is formed when garlic is crushed or chopped, causing the enzyme alliinase to convert the odorless compound alliin into allicin. Allicin possesses strong antioxidant, antimicrobial, and anti-inflammatory properties, making it a promising candidate for various applications.

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  • 10381-71-2 Structure
  • Basic information

    1. Product Name: Benzene, 1-methyl-4-(2-propenylsulfinyl)-
    2. Synonyms:
    3. CAS NO:10381-71-2
    4. Molecular Formula: C10H12OS
    5. Molecular Weight: 180.271
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 10381-71-2.mol
    9. Article Data: 9
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Benzene, 1-methyl-4-(2-propenylsulfinyl)-(CAS DataBase Reference)
    10. NIST Chemistry Reference: Benzene, 1-methyl-4-(2-propenylsulfinyl)-(10381-71-2)
    11. EPA Substance Registry System: Benzene, 1-methyl-4-(2-propenylsulfinyl)-(10381-71-2)
  • 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: 10381-71-2(Hazardous Substances Data)

10381-71-2 Usage

Uses

Used in Pharmaceutical Industry:
Allicin is used as a pharmaceutical agent for its potential health benefits. It exhibits antioxidant properties, which can help protect the body from oxidative stress and damage caused by free radicals. Additionally, its antimicrobial properties make it effective against various bacteria, fungi, and viruses, contributing to the prevention and treatment of infections.
Used in Flavoring Industry:
Allicin is used as a natural flavoring agent in cooking due to its strong and pungent scent. It adds a unique taste to various dishes, enhancing their flavor profile and making them more appealing to consumers.
Used in Natural Remedies:
Allicin is used as a natural remedy for various ailments, including respiratory infections, cardiovascular diseases, and digestive disorders. Its anti-inflammatory properties can help reduce inflammation and alleviate pain associated with these conditions.
Used in Antimicrobial Applications:
Allicin is employed as an antimicrobial agent in various industries, such as food preservation and cosmetics. Its ability to inhibit the growth of harmful microorganisms helps maintain the quality and safety of products, extending their shelf life and preventing spoilage.

Check Digit Verification of cas no

The CAS Registry Mumber 10381-71-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,0,3,8 and 1 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 10381-71:
(7*1)+(6*0)+(5*3)+(4*8)+(3*1)+(2*7)+(1*1)=72
72 % 10 = 2
So 10381-71-2 is a valid CAS Registry Number.

10381-71-2SDS

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 1-methyl-4-prop-2-enylsulfinylbenzene

1.2 Other means of identification

Product number -
Other names allyl p-tolyl sulphoxide

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:10381-71-2 SDS

10381-71-2Relevant articles and documents

MECHANISM OF TELOMERIZATION OF 1,3-DIENES WITH SULFINIC ACIDS, CATALYZED BY PALLADIUM COMPLEXES

Dzhemilev, U. M.,Kunakova, R. V.,Gaisin, R. L.,Valyamova, F. G.,Tolstikov, G. A.

, p. 1030 - 1033 (1990)

The probable telomerization mechanism was studied by IR spectroscopy, according to which the reaction of 1,3-dienes with sulfinic acids proceeds through a stage of formation of S-sulfinate complexes of palladium, which bring about the formation of molecules of unsaturated sulfones.

Aryne 1,2,3,5-Tetrasubstitution Enabled by 3-Silylaryne and Allyl Sulfoxide via an Aromatic 1,3-Silyl Migration

Shi, Jiarong,Li, Lianggui,Shan, Chunhui,Wang, Junli,Chen, Zhonghong,Gu, Rongrong,He, Jia,Tan, Min,Lan, Yu,Li, Yang

supporting information, p. 2178 - 2184 (2021/02/16)

Although benzyne has been well-known to serve as a synthon that can conveniently prepare various 1,2-difunctionalized benzenes, the sites other than its formal triple bond remain silent in typical benzyne transformations. An unprecedented aryne 1,2,3,5-tetrasubstitution was realized from 3-silylbenzyne and aryl allyl sulfoxide, the mechanistic pathway of which includes a regioselective aryne insertion into the SO bond, a [3,6]-sigmatropic rearrangement, and a thermal aromatic 1,3-silyl migration cascade.

Sulfoxide synthesis from sulfinate esters under Pummerer-like conditions

Kobayashi, Akihiro,Matsuzawa, Tsubasa,Hosoya, Takamitsu,Yoshida, Suguru

supporting information, p. 5429 - 5432 (2020/06/04)

A facile synthetic method for the preparation of allyl sulfoxides byS-allylation of sulfinate esters proceeds through sulfonium intermediates without [3,3]-sigmatropic rearrangement and further Pummerer-type reactions of the resulting allyl sulfoxides. On the basis of the plausible reaction mechanism involving sulfonium salt intermediates,S-alkynylation andS-arylation were also accomplished.

1,2,3,5-tetrasubstituted benzene containing 5-silicon groups and synthesis method thereof

-

, (2020/03/28)

The invention discloses a 1,2,3,5-tetrasubstituted benzene containing 5-silicon groups and a synthesis method thereof. The tetrasubstituted benzene has a structure as shown in. A. The method of synthesis of the tetrasubstituted benzene includes synthesis

1, 2, 3-tri-substituted benzene and method for synthesizing same

-

, (2017/04/22)

The invention provides synthesis of a novel compound 1, 2, 3-tri-substituted benzene. A method for synthesizing the 1, 2, 3-tri-substituted benzene which is a product includes (1), carrying out reaction on p-methyl thiophenol and allyl bromine to obtain p

One-Pot Sulfoxide Synthesis Exploiting a Sulfinyl-Dication Equivalent Generated from a DABSO/Trimethylsilyl Chloride Sequence

Lenstra, Danny C.,Vedovato, Vincent,Ferrer Flegeau, Emmanuel,Maydom, Jonathan,Willis, Michael C.

supporting information, p. 2086 - 2089 (2016/06/01)

A one-pot process for the synthesis of unsymmetrical sulfoxides using organometallic nucleophiles is described. Sulfur dioxide, delivered from the surrogate DABSO (DABCO-bis(sulfur dioxide)), acts as the initial electrophile and combines with the first organometallic reagent to generate a sulfinate intermediate. In situ conversion of the sulfinate to a sulfinate silyl ester, using TMS-Cl (trimethylsilyl chloride), generates a second electrophile, allowing addition of a second organometallic reagent. Organolithium or Grignard reagents can be employed, delivering sulfoxides in good to excellent yields.

Preparation of allyl sulfoxides by palladium-catalyzed allylic alkylation of sulfenate anions

Maitro, Guillaume,Prestat, Guillaume,Madec, David,Poli, Giovanni

, p. 7449 - 7454 (2007/10/03)

Palladium-catalyzed allylic alkylation of sulfenate anions, generated from β-sulfinylesters by retro-Michael reaction, can take place under biphasic conditions. This new reaction provides a simple, mild, and efficient route to allyl sulfoxides in good yields.

STRUCTURAL EFFECTS UPON COMPETITIVE DECOMPOSITION PATHWAYS OF THIOSULFOXIDE INTERMEDIATES

Baechler, Raymond D.,Filippo, Lynn James San,Schroll, Alayne

, p. 5247 - 5250 (2007/10/02)

Mixtures of sulfides and disulfides are obtained upon reaction of boron trisulfide with a series of allyl aryl sulfoxides, with the product distributions dependent upon the structures of the intermediate thiosulfoxides.

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