Ethyl benzoate: Difference between revisions
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Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: ChEMBL. |
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| verifiedrevid = |
| verifiedrevid = 415312321 |
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| Name = Ethyl benzoate |
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| ImageFile = Ethyl benzoate.svg |
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<!-- | ImageSize = 150px --> |
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| ImageSize = 200px |
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| ImageAlt = Skeletal formula of ethyl benzoate |
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| ImageFile1 = Ethyl benzoate 3D ball.png |
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| ImageAlt1 = Ball-and-stick model of the ethyl benzoate molecule |
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| PIN = Ethyl benzoate |
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| ChemSpiderID = 6897 |
| ChemSpiderID = 6897 |
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| ChEBI = 156074 |
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| EC_number = 202-284-3 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII = J115BRJ15H |
| UNII = J115BRJ15H |
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| InChI = 1/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| InChI = 1/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
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| InChIKey = MTZQAGJQAFMTAQ-UHFFFAOYAI |
| InChIKey = MTZQAGJQAFMTAQ-UHFFFAOYAI |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ChEMBL = 510714 |
| ChEMBL = 510714 |
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| PubChem = 7165 |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI = 1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| StdInChI = 1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = MTZQAGJQAFMTAQ-UHFFFAOYSA-N |
| StdInChIKey = MTZQAGJQAFMTAQ-UHFFFAOYSA-N |
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| CASNo = 93-89-0 |
| CASNo = 93-89-0 |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| SMILES = O=C(OCC)c1ccccc1 |
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|Section2={{Chembox Properties |
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|C=9|H=10|O=2 |
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| Appearance = colorless liquid |
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| MeltingPtC = −34 |
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| BoilingPtC = 211–213 |
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| Solubility = 0.72 mg/mL |
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| LogP = 2.64 |
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| MagSus = −93.32×10<sup>−6</sup> cm<sup>3</sup>/mol |
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|Section7={{Chembox Hazards |
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| GHSPictograms = {{GHS07}}{{GHS09}} |
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| GHSSignalWord = Warning |
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| HPhrases = {{H-phrases|315|319|411}} |
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| PPhrases = {{P-phrases|264|273|280|302+352|305+351+338|321|332+313|337+313|362|391|501}} |
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|Section8={{Chembox Related |
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| Formula = C<sub>9</sub>H<sub>10</sub>O<sub>2</sub> |
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| MolarMass = 150.17 g/mol |
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| MeltingPt = -34 °C |
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| BoilingPt = 211-213 °C |
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| Section8 = {{Chembox Related |
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'''Ethyl benzoate''' is |
'''Ethyl benzoate''', C<sub>9</sub>H<sub>10</sub>O<sub>2</sub>, is an [[ester]] formed by the condensation of [[benzoic acid]] and [[ethanol]]. It is a colorless liquid that is almost insoluble in water, but miscible with most organic solvents. |
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As with many volatile esters, ethyl benzoate has a pleasant odor |
As with many volatile esters, ethyl benzoate has a pleasant odor described as sweet, wintergreen, fruity, medicinal, cherry and grape.<ref>[http://www.thegoodscentscompany.com/data/rw1004771.html Ethyl benzoate], thegoodscentscompany.com</ref> It is a component of some fragrances and artificial fruit flavors. |
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== Preparation == |
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A simple and commonly used method for the preparation of ethyl benzoate in the laboratory is the acidic esterification of [[benzoic acid]] with [[ethanol]] and [[sulfuric acid]] as catalyst:<ref>Arthur Israel Vogel. Rev. by Brian S. Furniss: ''Vogel’s textbook of practical organic chemistry.'' 5. Auflage. Longman, Harlow 1989, {{ISBN|0-582-46236-3}}, S. 1076</ref> |
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:[[File:Ethyl benzoate esterification.svg|500px|Reaction equation for the acidic esterification.]] |
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==References== |
==References== |
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{{reflist}} |
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{{Unreferenced|date =September 2007}} |
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<references/> |
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==External links== |
==External links== |
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*[http:// |
*[http://hazard.com/msds/mf/baker/baker/files/e3225.htm Material Safety Data Sheet] |
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[[Category:Ethyl esters]] |
[[Category:Ethyl esters]] |
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[[Category: |
[[Category:Benzoate esters]] |
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[[Category:Perfume ingredients]] |
[[Category:Perfume ingredients]] |
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[[Category:Flavors]] |
[[Category:Flavors]] |
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[[Category:Sweet-smelling chemicals]] |
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[[fr:Benzoate d'éthyle]] |
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[[ja:安息香酸エチル]] |
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[[pt:Benzoato de etila]] |
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[[sv:Etylbensoat]] |