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Ethanone, 1-(1,3-benzodioxol-5-yl)-2-phenyl-, commonly known as safrole, is a chemical compound with the molecular formula C16H14O3. It is a colorless to pale yellow liquid with a pleasant aromatic odor, typically found in plants such as sassafras and nutmeg. Safrole is recognized for its use in the production of fragrances, flavorings, and insecticides, but it is also a precursor for the illicit production of MDMA (ecstasy), which has led to its classification as a controlled substance in many countries. Despite its applications, exposure to safrole has been linked to health risks including liver damage, cancer, and neurological disorders, resulting in stringent regulations on its use across various industries.

126266-77-1

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126266-77-1 Usage

Uses

Used in Fragrance Industry:
Ethanone, 1-(1,3-benzodioxol-5-yl)-2-phenylis used as a key ingredient in the fragrance industry for its pleasant aromatic properties, contributing to the creation of various scent profiles in perfumes and other scented products.
Used in Flavoring Industry:
In the flavoring industry, Ethanone, 1-(1,3-benzodioxol-5-yl)-2-phenylis utilized to enhance the taste of food products, beverages, and other consumables, providing a unique flavor profile due to its aromatic characteristics.
Used in Insecticide Production:
Ethanone, 1-(1,3-benzodioxol-5-yl)-2-phenylis employed as a component in the production of insecticides, leveraging its natural properties to deter or eliminate pests in agricultural and domestic settings.
However, due to its association with the production of illicit substances and the health risks associated with its exposure, the use of Ethanone, 1-(1,3-benzodioxol-5-yl)-2-phenylin these applications is heavily regulated and controlled to mitigate potential hazards.

Check Digit Verification of cas no

The CAS Registry Mumber 126266-77-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,6,2,6 and 6 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 126266-77:
(8*1)+(7*2)+(6*6)+(5*2)+(4*6)+(3*6)+(2*7)+(1*7)=131
131 % 10 = 1
So 126266-77-1 is a valid CAS Registry Number.

126266-77-1SDS

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-(1,3-benzodioxol-5-yl)-2-phenylethanone

1.2 Other means of identification

Product number -
Other names Benzyl piperonyl ketone

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:126266-77-1 SDS

126266-77-1Relevant academic research and scientific papers

Benzylic Aroylation of Toluenes Mediated by a LiN(SiMe3)2/Cs+System

Gu, Yuanyun,Zhang, Zhen,Wang, Yan-En,Dai, Ziteng,Yuan, Yaqi,Xiong, Dan,Li, Jie,Walsh, Patrick J.,Mao, Jianyou

supporting information, p. 406 - 418 (2022/01/14)

Chemoselective deprotonative functionalization of benzylic C-H bonds is challenging, because the arene ring contains multiple aromatic C(sp2)-H bonds, which can be competitively deprotonated and lead to selectivity issues. Recently it was found that bimetallic [MN(SiMe3)2 M = Li, Na]/Cs+ combinations exhibit excellent benzylic selectivity. Herein, is reported the first deprotonative addition of toluenes to Weinreb amides mediated by LiN(SiMe3)2/CsF for the synthesis of a diverse array of 2-arylacetophenones. Surprisingly, simple methyl benzoates also react with toluenes under similar conditions to form 2-arylacetophenones without double addition to give tertiary alcohol products. This finding greatly increases the practicality and impact of this chemistry. Some challenging substrates with respect to benzylic deprotonations, such as fluoro and methoxy substituted toluenes, are selectively transformed to 2-aryl acetophenones. The value of benzylic deprotonation of 3-fluorotoluene is demonstrated by the synthesis of a key intermediate in the preparation of Polmacoxib.

An unusual chemoselective oxidation strategy by an unprecedented exploration of an electrophilic center of DMSO: A new facet to classical DMSO oxidation

Chebolu, Rajesh,Bahuguna, Ashish,Sharma, Reena,Mishra, Vivek Kumar,Ravikumar

, p. 15438 - 15441 (2015/10/20)

A conceptually new dimethyl sulfoxide (DMSO) based oxidation process without the use of any activator has been demonstrated for the oxidation of active methylenes and benzhydrols. The developed protocol utilizes the electrophilic center of DMSO for oxidation, which was unexplored before. Mechanistic investigation has confirmed that the source of oxygen is DMSO.

Arylation of α-pivaloxyl ketones with arylboronic reagents via Ni-catalyzed sp3 C-O activation

Huang, Kun,Li, Gang,Huang, Wei-Ping,Yu, Da-Gang,Shi, Zhang-Jie

, p. 7224 - 7226 (2011/08/09)

A Suzuki-Miyaura coupling of α-pivaloxyl ketones via Ni-catalyzed sp3 C-O activation to produce α-aryl ketones is developed. This study offers a convenient method to construct α-arylation products from readily available α-hydroxyl carbonyl compounds.

Palladium-catalyzed carbonylative suzuki coupling of benzyl halides with potassium aryltrifluoroborates in aqueous media

Wu, Xiao-Feng,Neumann, Helfried,Beller, Matthias

experimental part, p. 788 - 792 (2011/05/15)

A general palladium-catalyzed carbonylative cross-coupling reaction of benzyl chlorides with potassium aryltrifluoroborates in water has been developed. Applying this improved methodology 16 different 1,2-diarylethanones have been synthesized in 40-89% yield. Copyright

NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS

-

Page/Page column 144, (2011/04/24)

The present invention is directed to novel dihydropyrimidin-2(1H)-one compounds useful as S-nitrosoglutathione reductase (GSNOR) inhibitors, pharmaceutical compositions comprising such compounds, and methods of making and using the same.

Tetralone acids as intermediates for the synthesis of podophyllotoxin analogues

Basavaraju,Anjanamurthy

, p. 876 - 880 (2007/10/03)

Tetralone acids 6, 7 and 8 have been synthesised as intermediates for the synthesis of podophyllotoxin analogues 3, 4 and 5. The possible steric hindrance of cyclohexyl group on the intramolecular Friedel-Crafts acylation reaction of anhydrides 15 b,c to tetralone acids 7 and 8 is also discussed here.

The reaction of arylaldehydes with hexamethylphosphorous triamide and the use of the resulting products for the synthesis of enamines and deoxybenzoins

Babudri,Fiandanese,Musio,Naso,Sciavovelli,Scilimati

, p. 225 - 228 (2007/10/02)

The reaction between the arylaldehydes 1a,b and hexamethylphosphorous triamide 2 leads to the [aryl(dimethylamino)methyl]phosphonic bis(dimethylamides) 3a,b. These can be easily deprotonated by butyllithium in 1,2-dimethoxyethane and condensed with arylaldehydes to afford enamines 4a-f or deoxybenzoins 5a-f in fair to good yield.

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