| Identification | More | [Name]
Ethyl 4-etoxybenzoate | [CAS]
23676-09-7 | [Synonyms]
4-ETHOXYBENZOIC ACID ETHYL ESTER
4-ETHOXY ETHYLBENZOATE
ETHYL 4-ETHOXYBENZOATE
ETHYL 4-ETOXYBENZOATE
ETHYL P-ETHOXYBENZOATE
PEEB
P-ETHOXY BENZOIC ACID ETHYL ESTER
P-ETHOXY ETHYL BENZOATE
RARECHEM AL BI 0088
Benzoic acid, p-ethoxy-, ethyl ester
Ethyl para-ethoxybenzoate
ethyl-4-ethoxy
Ethyl-p-Ethoxy-Benzoate/PEEB
Benzoic acid, 4-ethoxy-, ethyl ester
4-ETHYLOXYBENZOICACID,ETHYLESTER
Benzoicacid,4-ethoxy-,et | [EINECS(EC#)]
245-818-0 | [Molecular Formula]
C11H14O3 | [MDL Number]
MFCD00009116 | [Molecular Weight]
194.23 | [MOL File]
23676-09-7.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless viscous liquid | [Melting point ]
9°C | [Boiling point ]
145-150 °C (13 mmHg) | [density ]
1.071
| [refractive index ]
1.517-1.519
| [Fp ]
137°C | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Oil | [color ]
Colourless | [Specific Gravity]
1.07 | [Stability:]
Stable. Incompatible with strong oxidizing agents. Combustible. | [Water Solubility ]
Not miscible or difficult to mix with water. | [BRN ]
2692236 | [InChI]
1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3 | [InChIKey]
HRAQMGWTPNOILP-UHFFFAOYSA-N | [SMILES]
O=C(OCC)C1=CC=C(OCC)C=C1 | [LogP]
3.600 | [CAS DataBase Reference]
23676-09-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid, 4-ethoxy-, ethyl ester(23676-09-7) | [EPA Substance Registry System]
23676-09-7(EPA Substance) |
| Safety Data | Back Directory | [Risk Statements ]
22 | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
WGK 3 | [TSCA ]
Yes | [HS Code ]
29189900 | [Storage Class]
10 - Combustible liquids |
| Hazard Information | Back Directory | [Chemical Properties]
colourless viscous liquid | [Uses]
It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. | [Definition]
ChEBI: 4-Ethoxy ethylbenzoate is a benzoate ester. | [Synthesis]
Example I: 15 g (0.108 mol) of p-hydroxybenzoic acid and 54.4 g (0.353 mol) of diethyl sulfate were added to a glass flask containing 75 mL of xylene. The reaction mixture was heated to 90°C. The pH was monitored using a calibrated pH electrode submerged in the reaction mixture. A 35% aqueous NaOH solution [prepared by dissolving 13.6 g (0.326 mol) of NaOH flakes in 25 mL of water] was slowly added dropwise over a period of 90 min under stirring conditions to maintain the pH of the reaction system in the range of 8-10. After the NaOH solution was added dropwise, stirring of the reaction mixture was continued for 15 min. Subsequently, the reaction mixture was cooled to room temperature and 75 mL of water was added. The upper organic phase (containing the target product ethyl p-ethoxybenzoate) was separated from the lower aqueous phase, and the organic phase was washed sequentially with 75 mL of 2% NaOH aqueous solution and 75 mL of water. Finally, the solvent was removed by evaporation to give 20.5 g (97.6% yield) of ethyl p-ethoxybenzoate, which was analyzed by HPLC for 98.6% purity. | [References]
[1] Patent: US2010/152476, 2010, A1. Location in patent: Page/Page column 2
[2] Patent: WO2008/138457, 2008, A1. Location in patent: Page/Page column 3,4,5
[3] Synthesis, 1985, # 1, p. 40 - 45
[4] Patent: WO2013/53455, 2013, A1. Location in patent: Page/Page column 7 |
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