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Carbonic acid, methyl 2-phenylethyl ester, also known as methyl 2-phenylethyl carbonate, is an organic compound with the chemical formula C10H12O3. It is a colorless liquid that is soluble in organic solvents and has a molecular weight of 180.20 g/mol. This ester is formed by the reaction of carbonic acid with 2-phenylethyl alcohol, resulting in a compound that is widely used in the synthesis of various pharmaceuticals, agrochemicals, and fragrances. Its chemical structure consists of a carbonate group (CO3) attached to a methyl group (CH3) and a 2-phenylethyl group (C6H5CH2CH2), which contributes to its unique properties and applications in the chemical industry.

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  • Basic information

    1. Product Name: Carbonic acid, methyl 2-phenylethyl ester
    2. Synonyms:
    3. CAS NO:1796-66-3
    4. Molecular Formula: C10H12O3
    5. Molecular Weight: 180.203
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1796-66-3.mol
  • 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: Carbonic acid, methyl 2-phenylethyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: Carbonic acid, methyl 2-phenylethyl ester(1796-66-3)
    11. EPA Substance Registry System: Carbonic acid, methyl 2-phenylethyl ester(1796-66-3)
  • 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: 1796-66-3(Hazardous Substances Data)

1796-66-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1796-66-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,7,9 and 6 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1796-66:
(6*1)+(5*7)+(4*9)+(3*6)+(2*6)+(1*6)=113
113 % 10 = 3
So 1796-66-3 is a valid CAS Registry Number.

1796-66-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2-phenylethyl carbonate

1.2 Other means of identification

Product number -
Other names 2-phenylethyl methylcarbonate

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:1796-66-3 SDS

1796-66-3Relevant articles and documents

MnCO3-Catalyzed Transesterification of Alcohols with Dimethyl Carbonate Under Mild Conditions

Bi, Xiuru,Yao, Nan,Meng, Xu,Gou, Mingxia,Zhao, Peiqing

, p. 454 - 462 (2020/07/16)

Abstract: Dimethyl carbonate (DMC) is a valuable green reagent with versatile and tunable chemical reactivity and can be used as a raw material for transesterification of alcohols. Herein, MnCO3 was found to be an efficient heterogeneous cataly

Method for preparing 4-tert-butylphenethyl alcohol

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Paragraph 0014-0015, (2020/05/02)

The invention discloses a method for preparing 4-tert-butylphenethyl alcohol. The method specifically comprises the following steps: reacting phenethyl alcohol with methyl chloroformate to generate methyl phenethyl carbonate; subjecting methyl phenylethyl

Synthesis of non-symmetrical alkyl carbonates from alcohols and DMC over the nanocrystalline ZSM-5 zeolite

Chevella, Durgaiah,MacHarla, Arun Kumar,Banothu, Rammurthy,Gajula, Krishna Sai,Amrutham, Vasu,Boosa, Murali,Nama, Narender

supporting information, p. 2938 - 2945 (2019/06/18)

A novel heterogeneous acid (nanocrystalline ZSM-5) catalyzed carboxymethylation of alcohols to non-symmetrical alkyl carbonates using DMC has been realized. Nanocrystalline ZSM-5 (NZSM-5) with a crystal size of 20-30 nm was synthesized by hydrothermal crystallization. The synthesized NZSM-5 was verified by X-ray diffraction, Fourier transformation infrared spectroscopy and solid state NMR. The morphology of NZSM-5 was confirmed by transmission electron microscopy and scanning electron microscopy, which revealed the formation of aggregates of the zeolite (100-200 nm) made by the nano-sized (20-30 nm) NZSM-5 particle packing. The physicochemical properties of NZSM-5 were measured by nitrogen adsorption and temperature programmed desorption of ammonia, which indicate the surface area of 465 m2 g-1 and the acidity of 0.936 mmol g-1. The present protocol provides an attractive approach to a variety of non-symmetrical alkyl carbonates in high yields. The catalyst was efficiently recycled for up to 5 consecutive cycles. This method broadens the series of possible utilization for DMC in green chemistry.

ORGANIC COMPOUNDS

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Page/Page column 10; 11; 12, (2019/06/23)

The present invention refers to 3,7-dimethyloct-6-en-1-yl methyl carbonate and its use as fragrance ingredient. The invention further refers to fragrance compositions and fragranced articles comprising it.

Synthesis of Carbonate Esters by Carboxymethylation Using NaAlO2 as a Highly Active Heterogeneous Catalyst

Ramesh, Sreerangappa,Indukuri, Kiran,Riant, Olivier,Debecker, Damien P.

, p. 1846 - 1851 (2019/01/04)

Sodium aluminate is presented as a highly active heterogeneous catalyst that is able to convert a range of alcohols into the corresponding unsymmetrical carbonate esters by reaction with dimethyl carbonate. Preparing NaAlO2 via spray drying boosts the basic properties and the activity of the catalyst.

Heterobimetallic dinuclear lanthanide alkoxide complexes as acid-base difunctional catalysts for transesterification

Zeng, Ruijie,Sheng, Hongting,Zhang, Yongcang,Feng, Yan,Chen, Zhi,Wang, Junfeng,Chen, Man,Zhu, Manzhou,Guo, Qingxiang

, p. 9246 - 9252 (2014/12/11)

A practical lanthanide(III)-catalyzed transesterification of carboxylic esters, weakly reactive carbonates, and much less-reactive ethyl silicate with primary and secondary alcohols was developed. Heterobimetallic dinuclear lanthanide alkoxide complexes [Ln2Na8{(OCH2CH2NMe2)}12(OH)2] (Ln = Nd (I), Sm (II), and Yb (III)) were used as highly active catalysts for this reaction. The mild reaction conditions enabled the transesterification of various substrates to proceed in good to high yield. Efficient activation of transesterification may be endowed by the above complexes as cooperative acid-base difunctional catalysts, which is proposed to be responsible for the higher reactivity in comparison with simple acid/base catalysts.

Easy eco-friendly phenonium ion production from phenethyl alcohols in dimethyl carbonate

Barontini,Proietti Silvestri,Nardi,Bovicelli,Pari,Gallucci,Spezia,Righi

supporting information, p. 5004 - 5006 (2013/08/28)

An efficient and simple one-pot procedure for selective etherification of 2-aryl-ethylalcohols has been achieved through Amberlyst 15-catalyzed reaction in dimethyl carbonate (DMC). Moreover, the polymer catalyst could be recovered and reused with no effect on its activity. The reaction mechanism involves the formation of phenonium ion which has been demonstrated by a C-C bond forming reaction. Theoretical studies are in agreement with and thus explain experimental results.

Synthesis of dialkyl carbonates from CO2 and alcohols via electrogenerated N-heterocyclic carbenes

Wu, La-Xia,Wang, Huan,Xiao, Yan,Tu, Zhuo-Ying,Ding, Bin-Bin,Lu, Jia-Xing

, p. 116 - 118 (2013/01/15)

Here we describe the utilization of NHC-CO2 which transfers CO2 to alcohols for the synthesis of dialkyl carbonates under mild conditions with high conversion and excellent selectivity. In addition NHC-CO2 formation was supported by electrochemical analysis. This study provides a new procedure for the synthesis of dialkyl carbonates of chemical and pharmaceutical interest, as well as expands the applications of NHCs in CO2 fixation.

Chemoselective synthesis of asymmetrical carbonate from alcohol and dimethyl carbonate catalyzed by ytterbium(III) triflate

Yu, Chuanming,Zhou, Baocheng,Su, Weike,Xu, Zhenyuan

, p. 647 - 653 (2007/10/03)

Catalyzed by ytterbium(III) triflate, asymmetrical carbonate can be chemoselectively synthesized from alcohols and dimethyl carbonate (DMC) in moderate to good yield under the mild conditions. Copyright Taylor & Francis Group, LLC.

Mechanism and structure-reactivity correlation in the homogeneous, unimolecular elimination kinetics of 2-substituted ethyl methylcarbonates in the gas phase

Chuchani, Gabriel,Marquez, Edgar,Herize, Armando,Dominguez, Rosa Maria,Tosta, Maria,Brusco, Doris

, p. 839 - 848 (2007/10/03)

The gas-phase elimination kinetics of 2-substituted ethyl methylcarbonates were determined in a static reaction system over the temperature range of 323-435 °C and pressure range 28.5-242 Torr. The reactions are homogeneous, unimolecular and follow a first-order rate law. The kinetic and thermodynamic parameters are reported. The 2-substituents of the ethyl methylcarbonate (CH3OCOOCH2CH2Z, Z = substituent) give an approximate linear correlation when using the Taft-Topsom method, log(k z/kH)= -(0.57 ± 0.19)σα + (1.34 ± 0.49)σR (r = 0.9256; SD = 0.16) at 400 °C. This result implies the elimination process to be sensitive to steric factors, while the electronic effect is unimportant. However, the resonance factor has the greatest influence for a favorable abstraction of the β-hydrogen of the C3- H bond by the oxygen carbonyl. Because ρα is significant, a good correlation of the alkyl substituents of carbonates with Hancock's steric parameters was obtained: log(kR/kH versus Esc for CH 3OCOOCH2CH2R at 400°C, R = alkyl, δ= -0.17 (r=0.9993, SD = 0.01). An approximate straight line was obtained on plotting these data with the reported Hancock's correlation of 2-alkyl ethylacetates. This result leads to evidence for the β-hydrogen abstraction by the oxygen carbonyl and not by the alkoxy oxygen at the opposite side of the carbonate. The carbonate decompostion is best described in terms of a concerted six-membered cyclic transition state type of mechanism. Copyright

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