Ethyl 4-methoxybenzoate

Base Information

• Chemical Name: Ethyl 4-methoxybenzoate
• CAS No.: 94-30-4
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 29189900
• European Community (EC) Number: 202-320-8
• NSC Number: 4160
• UNII: KJ95H2S7NM
• DSSTox Substance ID: DTXSID4059099
• Nikkaji Number: J33.854K
• Wikidata: Q27282290
• Metabolomics Workbench ID: 45674
• ChEMBL ID: CHEMBL2260709
• Mol file: 94-30-4.mol

Synonyms:Ethyl 4-methoxybenzoate;94-30-4;Ethyl p-anisate;Ethyl anisate;Ethyl p-methoxybenzoate;BENZOIC ACID, 4-METHOXY-, ETHYL ESTER;p-Anisic acid, ethyl ester;4-Methoxybenzoic Acid Ethyl Ester;p-Anisic Acid Ethyl Ester;FEMA No. 2420;ETHYL P-METHOXYLBENZOATE;Benzoic acid, p-methoxy-, ethyl ester;Ethyl p-anisoate;4-methoxy-benzoic acid ethyl ester;NSC 4160;EINECS 202-320-8;UNII-KJ95H2S7NM;BRN 2209700;KJ95H2S7NM;AI3-00648;p-Methoxybenzoic acid, ethyl ester;NSC-4160;Ethyl ester of 4-Methoxybenzoic acid;MFCD00015151;4-10-00-00368 (Beilstein Handbook Reference);Ethyl4-methoxybenzoate;ethylanisat-;FEMA 2420;ethyl para-anisate;4-Methoxy ethylbenzoate;ethyl P-methoxy benzoate;4-Methoxybenzoic acid ethyl;WLN: 2OVR DO1;SCHEMBL203475;ETHYL P-ANISATE [FCC];ETHYL P-ANISATE [FHFI];CHEMBL2260709;DTXSID4059099;NSC4160;CHEBI:173859;Ethyl p-anisate, >=97%, FCC;STK091072;AKOS003596810;DS-3812;Ethyl p-anisate, >=97%, FCC, FG;LS-2712;SY015619;A0933;CS-0151752;FT-0626224;H11249;A844908;W-100201;Q27282290;F1335-0003

Chemical Property of Ethyl 4-methoxybenzoate

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.000846mmHg at 25°C
• Melting Point: 7-8 °C(lit.)
• Refractive Index: n20/D 1.524(lit.)
• Boiling Point: 266.58 °C at 760 mmHg
• Flash Point: 106.102 °C
• PSA: 35.53000
• Density: 1.074 g/cm³
• LogP: 1.87190
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

99.9% ^*data from raw suppliers

Ethyl4-Methoxybenzoate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)OC
• Description: Ethyl 4-methoxybenzoate is a compound consisting of an ethyl group attached to a 4-methoxybenzoate group.
• Uses: Ethyl 4-Methoxybenzoate is used in food flavoring, particularly in the preparation of anise, fennel, licorice, and other flavors.
• Production Methods: Produced through the esterification of p-methoxybenzoic acid and ethanol under acidic catalysis.

Technology Process of Ethyl 4-methoxybenzoate

There total 134 articles about Ethyl 4-methoxybenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.0%

carbon monoxide (201230-82-2) + para-iodoanisole (696-62-8) + sodium ethanolate (141-52-6) → ethyl 4-methoxybenzoate (94-30-4) + methoxybenzene (100-66-3)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); ethanol; (E)-3-(2-diphenylphosphino)phenyl-1-phenylprop-2-en-1-one; at 60 ℃;

DOI:10.1021/ja909962f

Reference yield: 74.0%

ethanol (64-17-5) + 4-methoxy-benzaldehyde (123-11-5) → ethyl 4-methoxybenzoate (94-30-4) + 4-methoxy-phenol (150-76-5) + 4-methoxybenzoic acid (100-09-4)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); at 50 ℃; for 24h;

DOI:10.1246/cl.1995.127

Reference yield: 60.0%

ethanol (64-17-5) + 4-methoxyacetophenone hydrazone (6310-14-1) → ethyl 4-methoxybenzoate (94-30-4) + 1-(4-methoxyphenyl)ethanone (100-06-1)

Guidance literature:

With N,N'-bis(salicylidene)ethylenediaminatocobalt(III) hydroxide; oxygen; for 1h; Ambient temperature;

DOI:10.1016/S0040-4039(00)84608-0

upstream raw materials:

ethanol

2,2-dichloro-1-(4-methoxyphenyl)-2-phenylethanone

sodium ethanolate

4,4'-dimethoxybenzoin

Downstream raw materials:

2-(benzo[d]thiazol-2-yl)-1-(4-methoxyphenyl)ethan-1-one

1-isopropenyl-4-methoxybenzene

2-(4-methoxyphenyl)propan-2-ol

1-(4-methoxyphenyl)-2-(pyridin-3-yl)-ethanone

Refernces

• 1、 Yu, Congjun,?zkaya, Bünyamin,Patureau, Frederic W.. "Electro-Oxidative Selective Esterification of Methylarenes and Benzaldehydes". supporting information. p. 3682 - 3687. Retrieved 2021/02/01.
• 2、 Mohammed, Salim J.,Sheat, Attallah M.,A.abood, Salih,Yahya, Omar M.. "Using m icrowave and ultrasound to synthesis of substituted bis-acyl hydrazone derivatives". . p. 6423 - 6427. Retrieved 2021/11/01.