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29549-60-8

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29549-60-8 Usage

General Description

2-(Ethylthio)phenol is a chemical compound with the molecular formula C8H10OS. It is a colorless to light yellow liquid with a strong odor. It is commonly used as a fragrance ingredient in perfumes and personal care products due to its pleasant and slightly medicinal odor. It can also be used as a flavoring agent in the food industry. Additionally, 2-(ethylthio)phenol has antimicrobial properties and is used as a preservative in various products. It is important to handle this compound with care as it can cause irritation to the skin, eyes, and respiratory system.

Check Digit Verification of cas no

The CAS Registry Mumber 29549-60-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,9,5,4 and 9 respectively; the second part has 2 digits, 6 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 29549-60:
(7*2)+(6*9)+(5*5)+(4*4)+(3*9)+(2*6)+(1*0)=148
148 % 10 = 8
So 29549-60-8 is a valid CAS Registry Number.
InChI:InChI=1/C8H10OS/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3

29549-60-8SDS

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 2-ethylsulfanylphenol

1.2 Other means of identification

Product number -
Other names Phenol, 2-(ethylthio)-

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:29549-60-8 SDS

29549-60-8Relevant articles and documents

Enantioselective syntheses of sulfoxides in octahedral ruthenium(II) complexes via a chiral-at-metal strategy

Li, Zheng-Zheng,Wen, A-Hao,Yao, Su-Yang,Ye, Bao-Hui

supporting information, p. 2726 - 2733 (2015/03/30)

The preparation of chiral 2-(alkylsulfinyl)phenol compounds by enantioselective coordination-oxidation of the thioether ruthenium complexes with a chiral-at-metal strategy has been developed. The enantiomerically pure sulfoxide complexes δ-[Ru(bpy)2{(R)-LO-R}](PF6) (bpy is 2,2′-bipyridine, HLO-R is 2-(alkylsulfinyl)phenol, R = Me (δ-1a), Et (δ-2a), iPr (δ-3a), Bn (δ-4a), and Nap (δ-5a)) and δ-[Ru(bpy)2{(S)-LO-R}](PF6) (R = Me (δ-1a), Et (δ-2a), iPr (δ-3a), Bn (δ-4a), and Nap (δ-5a)) have been synthesized by the reaction of δ-[Ru(bpy)2(py)2]2+ or δ-[Ru(bpy)2(py)2]2+ with the prochiral thioether ligands 2-(alkylthio)phenol (HL-R), followed by enantioselective oxidation with m-CPBA as oxidant. The X-ray crystallography was used to verify the stereochemistry of ruthenium complexes and sulfur atoms. The configurations of the ruthenium complexes are stable during the coordination and oxidation reactions. Moreover, the chiral sulfoxide ligands are enantioselectively generated by controlling of the configuration of ruthenium centers in the course of oxidation reaction. That is, the δ configuration at the ruthenium center generates the S sulfoxide ligand; on the contrary, the δ configuration of the ruthenium complex originates the R sulfoxide ligand. Acidolysis of δ-[Ru(bpy)2{(R)-LO-R}](PF6) and δ-[Ru(bpy)2{(S)-LO-R}](PF6) complexes in the presence of TFA-MeCN afforded the chiral ligands (R)-HLO-R and (S)-HLO-R in 96-99% ee values, respectively. Importantly, the chiral ruthenium complexes can be recycled as δ/δ-[Ru(bpy)2(MeCN)2](PF6)2 and reused in a next reaction cycle with complete retention of the configurations at ruthenium centers.

Covalent modification of cyclooxygenase-2 (COX-2) by 2-acetoxyphenyl alkyl sulfides, a new class of selective COX-2 inactivators

Kalgutkar, Amit S.,Kozak, Kevin R.,Crews, Brenda C.,Hochgesang Jr., G. Phillip,Marnett, Lawrence J.

, p. 4800 - 4818 (2007/10/03)

All of the selective COX-2 inhibitors described to date inhibit the isoform by binding tightly but noncovalently at the substrate binding site. Recently, we reported the first account of selective covalent modification of COX-2 by a novel inactivator, 2-acetoxyphenyl hept-2-ynyl sulfide (70) (Science 1998, 280, 1268-1270). Compound 70 selectively inactivates COX-2 by acetylating the same serine residue that aspirin acetylates. This paper describes the extensive structure-activity relationship (SAR) studies on the initial lead compound 2-acetoxyphenyl methyl sulfide (36) that led to the discovery of 70. Extension of the S-alkyl chain in 36 with higher alkyl homologues led to significant increases in inhibitory potency. The heptyl chain in 2-acetoxyphenyl heptyl sulfide (46) was optimum for COX-2 inhibitory potency, and introduction of a triple bond in the heptyl chain (compound 70) led to further increments in potency and selectivity. The alkynyl analogues were more potent and selective COX-2 inhibitors than the corresponding alkyl homologues. Sulfides were more potent and selective COX-2 inhibitors than the corresponding sulfoxides or sulfones or other heteroatom-containing compounds. In addition to inhibiting purified COX-2, 36, 46, and 70 also inhibited COX-2 activity in murine macrophages. Analogue 36 which displayed moderate potency and selectivity against purified human COX-2 was a potent inhibitor of COX-2 activity in the mouse macrophages. Tryptic digestion and peptide mapping of COX-2 reacted with [1-14C-acetyl]-36 indicated that selective COX-2 inhibition by 36 also resulted in the acetylation of Ser516. That COX-2 inhibition by aspirin resulted from the acetylation of Ser516 was confirmed by tryptic digestion and peptide mapping of COX-2 labeled with [1- 14C-acetyl]salicyclic acid. The efficacy of the sulfides in inhibiting COX- 2 activity in inflammatory cells, our recent results on the selectivity of 70 in attenuating growth of COX-2-expressing colon cancer cells, and its selectivity for inhibition of COX-2 over COX-1 in vivo indicate that this novel class of covalent modifiers may serve as potential therapeutic agents in inflammatory and proliferative disorders.

Alkylthiolation of Phenols

Ranken, Paul F.,McKinnie, B. Garry

, p. 117 - 119 (2007/10/02)

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