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1-(4-ethoxyphenyl)ethyl alcohol, also known as p-ethoxyphenethyl alcohol, is an organic compound characterized by its chemical formula C10H14O2. This colorless liquid is distinguished by its floral, rose-like odor and is widely recognized for its utility in various industrial applications.

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  • 116071-56-8 Structure
  • Basic information

    1. Product Name: 1-(4-ethoxyphenyl)ethyl alcohol
    2. Synonyms:
    3. CAS NO:116071-56-8
    4. Molecular Formula:
    5. Molecular Weight: 166.22
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 116071-56-8.mol
    9. Article Data: 12
  • 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: 1-(4-ethoxyphenyl)ethyl alcohol(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-(4-ethoxyphenyl)ethyl alcohol(116071-56-8)
    11. EPA Substance Registry System: 1-(4-ethoxyphenyl)ethyl alcohol(116071-56-8)
  • 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: 116071-56-8(Hazardous Substances Data)

116071-56-8 Usage

Uses

Used in Pharmaceutical Industry:
1-(4-ethoxyphenyl)ethyl alcohol is used as a key compound in the synthesis of pharmaceuticals due to its versatile chemical properties, contributing to the development of new medications and therapeutic agents.
Used in Fragrance Industry:
In the fragrance industry, 1-(4-ethoxyphenyl)ethyl alcohol is utilized as a component in creating perfumes, taking advantage of its distinct floral, rose-like scent to enhance the aroma of various fragrance products.
Used in Flavor Production:
This organic compound is also employed in the production of flavors, particularly those with a floral or rose-like taste, adding a unique and desirable quality to different food and beverage products.
Used as a Preservative:
1-(4-ethoxyphenyl)ethyl alcohol serves as a preservative in various products, helping to extend their shelf life and maintain their quality over time.
Used as a Solvent:
Its properties also make it suitable for use as a solvent in different applications, facilitating the dissolution of other substances for a range of purposes.
Used as a Stabilizer:
1-(4-ethoxyphenyl)ethyl alcohol is used as a stabilizer to ensure the consistency and stability of products in which it is incorporated, preventing separation or degradation.
It is crucial to handle 1-(4-ethoxyphenyl)ethyl alcohol with care, as it may cause skin irritation or harmful effects if ingested, emphasizing the importance of proper safety measures during its use and manipulation.

Check Digit Verification of cas no

The CAS Registry Mumber 116071-56-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,6,0,7 and 1 respectively; the second part has 2 digits, 5 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 116071-56:
(8*1)+(7*1)+(6*6)+(5*0)+(4*7)+(3*1)+(2*5)+(1*6)=98
98 % 10 = 8
So 116071-56-8 is a valid CAS Registry Number.

116071-56-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(4-ethoxyphenyl)ethyl alcohol

1.2 Other means of identification

Product number -
Other names 1-(4'-ethoxyphenyl)ethanol

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:116071-56-8 SDS

116071-56-8Relevant articles and documents

Mixed phosphine/diimines and/or amines ruthenium carbonyl complexes: Synthesis, characterization and transfer-hydrogenation

Cavarzan, Deividi A.,Fagundes, Francisco D.,Fuganti, Otávio,Da Silva, Caroline W.P.,Pinheiro, Carlos Basílio,Back, Davi F.,Barison, Andersson,Bogado, André L.,De Araujo, Márcio P.

, p. 75 - 82 (2013)

We synthesized complexes with the general formula trans-[RuCl 2(CO)(PR3)(N-N)] (N-N = diimines and/or amines; PR 3 = triphenylphosphine or tri-p-tolylphosphine) by reacting trans-[RuCl2(CO)(dmf)(PR3)

Chain amplification in photoreactions of N-alkoxypyridinium salts with alcohols: Mechanism and kinetics

Shukla, Deepak,Ahearn, Wendy G.,Farid, Samir

, p. 6809 - 6819 (2005)

Photosensitized electron transfer from a variety of singlet- and triplet-excited donors to N-methoxypyridinium salts leads to N-O bond cleavage. Hydrogen atom abstraction by the resulting methoxy radical from an added alcohol generates an α-hydroxy radical that reduces another pyridinium molecule, thus leading to chain propagation. For example, thioxanthone-sensitized reactions of 4-cyano-N-methoxypyridinium, P1, with several aliphatic and benzyl alcohols gave quantum yields for products formation (an aldehyde or a ketone and protonated 4-cyanopyridinium) of ~15-20, at reactant concentrations of ~0.02-0.04 M. The reaction can also be sensitized with triplet benzopheone, which in this case acts as an electron donor. Energetic limitations on chain propagation are imposed by the relationship between the oxidation potential of the α-hydroxy radical and the reduction potential of the pyridinium salt. The chain reactions proceed despite ~0.25 eV endothermicity for the electron-transfer step. Chain reactions with the harder-to-reduce 4-phenyl-N-methoxypyridinium, however, are limited in scope because of increased endothermicity for electron transfer. The thioxanthone-sensitized reaction of P1 with benzhydrol was studied in detail by a combination of steady state and transient kinetics. The bimolecular rate constants for the chain propagation reactions:hydrogen atom abstraction by the methoxy radical and electron transfer from the diphenylketyl radical to P1 are ~6 × 106 and 1.1 × 106 M-1 s-1, respectively. The kinetic data indicate that deuterium atom abstraction by the methoxy radical from the solvent, acetonitrile-d3, is a dominant chain-terminating process. Because of a large deuterium isotope effect, ~7, the quantum amplification is strongly suppressed when the reaction is carried out in acetonitrile.

Postsynthetic Modification of Half-Sandwich Ruthenium Complexes by Mechanochemical Synthesis

Jia, Wei-Guo,Zhi, Xue-Ting,Li, Xiao-Dong,Zhou, Jun-Peng,Zhong, Rui,Yu, Haibo,Lee, Richmond

, p. 4313 - 4321 (2021/05/04)

A mild and environmentally friendly method to synthesize half-sandwich ruthenium complexes through the Wittig reaction between an aldehyde-tagged half-sandwich ruthenium complex and phosphorus ylide mechanochemically is reported herein. The mechanochemical synthesis of valuable half-sandwich ruthenium complexes resulted in a fast reaction, good yield with simple workup, and the avoidance of harsh reaction conditions and organic solvents. The synthesized half-sandwich ruthenium complexes exhibited high catalytic activity for transfer hydrogenation of ketones using 2-propanol as the hydrogen source and solvent. Density functional theory was carried out to propose a mechanism for the transfer hydrogenation process. The modeling suggests the importance of the labile p-cymene ligand in modulating the reactivity of the catalyst.

Pyridine mediated transition-metal-free direct alkylation of anilines using alcohols: via borrowing hydrogen conditions

Pothikumar, Rajagopal,Bhat, Venugopal T,Namitharan, Kayambu

supporting information, p. 13607 - 13610 (2020/11/17)

Herein, we report pyridine and other similar azaaromatics as efficient biomimetic hydrogen shuttles for a transition-metal-free direct N-alkylation of aryl and heteroaryl amines using a variety of benzylic and straight chain alcohols. Mechanistic studies including deuterium labeling and the isolation of dihydro-intermediates of the benzannulated pyridine confirmed the role of pyridine and a borrowing hydrogen process operating in these reactions. In addition, we have extended this methodology for the development of dehydrogenative synthesis of quinolines and indoles, as well as the transfer hydrogenation of ketones. This journal is

Aerobic Oxidative Cleavage and Esterification of C(OH)–C Bonds

Liu, Mingyang,Zhang, Zhanrong,Yan, Jiang,Liu, Shuaishuai,Liu, Huizhen,Liu, Zhaotie,Wang, Weitao,He, Zhenhong,Han, Buxing

supporting information, p. 3288 - 3296 (2020/10/20)

C(OH)–C bonds are widely distributed in naturally renewable biomass, such as carbohydrates, lignin, and their platform molecules. Selective cleavage and functionalization of C(OH)–C bonds is an attractive strategy in terms of producing value-added chemicals from biomass. However, effective transformation of alcohols into esters by activation of C(OH)–C bonds has not been achieved so far. Herein, for the first time, we report selective cleavage and esterification of C(OH)–C bonds, catalyzed by inexpensive copper salts, using environmentally benign oxygen as the oxidant, to afford methyl esters in excellent yields. A diverse range of phenylethanol derivatives that contain C(OH)–C bonds were effectively converted into methyl benzoates. Detailed analysis revealed that the high efficiency and selectivity resulted mainly from the fact that, in addition to the major esterification reaction, the side products (e.g., olefins and acids) were also transformed in situ into esters in the reaction system. C(OH)–C bonds are widely distributed in naturally renewable biomass. In the context of developing future biorefineries, selective cleavage and functionalization of C(OH)–C bonds are crucial and represent an attractive strategy in terms of producing value-added chemical compounds from biomass resources. In the current manuscript, we report, for the first time, an effective and selective method for the cleavage and esterification of C(OH)–C bonds of alcohols to produce esters, by using environmentally benign O2 as the terminal oxidant and inexpensive commercially available copper salts as catalysts. Furthermore, a detailed mechanistic study revealed that, in addition to the major esterification route, side products (e.g., olefins and acids), which are inevitably generated under oxidative and basic conditions, were also simultaneously converted into esters, thus significantly improving the final yields of target ester products. Native lignin represents the only naturally sustainable aromatic resource. Transformation of native lignin into valuable aromatics would make a great contribution to our planet. We report, for the first time, the effective transformation of alcohols into esters by esterification of C(OH)–C bonds, which offers a new way for the simultaneous degradation and functionalization of lignin. This reaction promotes new explorations for biomass valorization.

Nitrogen Dioxide Catalyzed Aerobic Oxidative Cleavage of C(OH)–C Bonds of Secondary Alcohols to Produce Acids

Liu, Mingyang,Zhang, Zhanrong,Song, Jinliang,Liu, Shuaishuai,Liu, Huizhen,Han, Buxing

supporting information, p. 17393 - 17398 (2019/11/11)

Stable organic nitroxyl radicals are an important class of catalysts for oxidation reactions, but their wide applications are hindered by their steric hinderance, high cost, complex operation, and separation procedures. Herein, NO2 in DMSO is shown to effectively catalyze the aerobic oxidative cleavage of C(OH)?C bonds to form a carboxylic group, and NO2 was generated in situ by decomposition of nitrates. A diverse range of secondary alcohols were selectively converted into acids in excellent yields in this transition-metal-free system without any additives. Preliminary results also indicate its applicability to depolymerize recalcitrant macromolecular lignin. Detail studies revealed that NO2 from nitrates promoted the reaction, and NO2 served as hydrogen acceptor and radical initiator for the tandem oxidative reaction.

P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS

-

Paragraph 0350-0352, (2018/04/17)

The present disclosure provides novel compounds and methods for preparing and using these compounds. In one embodiment, the compounds are of the structure of formula (I), wherein R1-R7 are defined herein. In a further embodiment, these compounds are useful in method for regulating one or both of the P2X3 or P2X2/3 receptors. In another embodiment, these compounds are useful for treating pain in patients by administering one or more of the compounds to a patient. In another embodiment, these compounds are useful for treating respiratory dysfunction in patients by administering one or more of the compounds to a patient.

Design, synthesis and structure-based optimization of novel isoxazole-containing benzamide derivatives as FtsZ modulators

Bi, Fangchao,Song, Di,Zhang, Nan,Liu, Zhiyang,Gu, Xinjie,Hu, Chaoyu,Cai, Xiaokang,Venter, Henrietta,Ma, Shutao

, p. 90 - 103 (2018/10/04)

Antibiotic resistance among clinically significant bacterial pathogens is becoming a prevalent threat to public health, and new antibacterial agents with novel mechanisms of action hence are in an urgent need. Utilizing computational docking method and structure-based optimization strategy, we rationally designed and synthesized two series of isoxazol-3-yl- and isoxazol-5-yl-containing benzamide derivatives that targeted the bacterial cell division protein FtsZ. Evaluation of their activity against a panel of Gram-positive and -negative pathogens revealed that compounds B14 and B16 that possessed the isoxazol-5-yl group showed strong antibacterial activity against various testing strains, including methicillin-resistant Staphylococcus aureus and penicillin-resistant S. aureus. Further molecular biological studies and docking analyses proved that the compound functioned as an effective inhibitor to alter the dynamics of FtsZ self-polymerization via a stimulatory mechanism, which finally terminated the cell division and caused cell death. Taken together, these results could suggest a promising chemotype for development of new FtsZ-targeting bactericidal agent.

CAL-B-Catalyzed Enantioselective Deacetylation of Some Benzylic Acetate Derivatives Via Alcoholysis in Non-aqueous Media

Zadi, Amna,Merabet-Khelassi, Mounia,Aribi-Zouioueche, Louisa

, p. 1054 - 1061 (2015/02/05)

Enantioselective deacetylation of a set of benzylic acetates via alcoholysis catalyzed by Lipase B from Candida antarctica (CAL-B), under mild conditions is described. A systematic study allows to determine the appropriate combination nucleophile/organic solvent and also to explain the influence of these parameters on the enzymatic catalytic reaction. In all cases, (R)-alcohols are obtained with high ee (up to >99 %) at conversion 36 % 500. The enzymatic reactivity is influenced by the hydrophobicity of solvent and the structure/nature of the nucleophile. Furthermore, CAL-B allows enantio-complementary between transesterifications in non-aqueous media: alcoholysis and acetylation.

Reduction of carbonyl compounds to their corresponding of alcohols with [Zn(BH4)2(2-MeOpy)] & [Zn(BH4) 2(2-Mepy)] as new reducing agents (a comparison study)

Khezri, Behrooz,Ghadimi, Farnaz Najaf,Karashi, Chonur Nevisandeh,Setamdideh, Davood

, p. 623 - 629 (2013/11/06)

The reduction of a variety of carbonyl compounds was efficiently carried out with [Zn(BH4)2(2-MeOpy)] and [Zn(BH4) 2(2-Mepy)] as new reducing agents. The reduction reactions were performed to give the corresponding alcohols derivatives in perfect yields.

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