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E12907

Sigma-Aldrich

Ethyl benzoate

≥99%

Synonym(s):

Benzoic acid ethyl ester

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About This Item

Linear Formula:
C6H5COOC2H5
CAS Number:
93-89-0
Molecular Weight:
150.17
Beilstein/REAXYS Number:
1908172
EC Number:
202-284-3
MDL number:
MFCD00009109
UNSPSC Code:
12352100
PubChem Substance ID:
24894400
NACRES:
NA.22

vapor density

5.17 (vs air)

Quality Level

200

vapor pressure

1 mmHg ( 44 °C)

assay

≥99%

form

liquid

autoignition temp.

914 °F

refractive index

n20/D 1.504 (lit.)

bp

212 °C (lit.)

mp

−34 °C (lit.)

density

1.045 g/mL at 25 °C (lit.)

SMILES string

CCOC(=O)c1ccccc1

InChI

1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChI key

MTZQAGJQAFMTAQ-UHFFFAOYSA-N

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Application

Ethyl benzoate is a general reagent to construct molecules with phenyl pendants such as phenyl bearing pyrazine-boron fluorescent complex. It can be used to prepare Horner′s phosphonate intermediate in the total synthesis of diospongins A and B. It is also a flavoring agent used in food and fragrance industry.

Storage Class

10 - Combustible liquids

wgk_germany

WGK 1

flash_point_f

190.4 °F

flash_point_c

88 °C

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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A concise total synthesis of diospongins A and B.
Sabitha G, et al.
Helvetica Chimica Acta, 91(12), 2235-2239 (2008)
Densities and viscosities of binary mixtures of isoamyl acetate, ethyl caproate, ethyl benzoate, isoamyl butyrate, ethyl phenylacetate, and ethyl caprylate with ethanol at T=(288.15, 298.15, 308.15, and 318.15) K.
Sheu Y W and Tu C H
Journal of Chemical and Engineering Data, 51(2), 496-503 (2006)
Synthesis and fluorescence properties of novel pyrazine?boron complexes bearing a ?-iminoketone ligand.
Kubota Y, et al.
Organic Letters, 13(24), 6544-6547 (2011)
Daniel I Perez et al.
Bioorganic & medicinal chemistry, 17(19), 6914-6925 (2009-09-15)
Thienylhalomethylketones, whose chemical, biological, and pharmaceutical data are here reported, are the first irreversible inhibitors of GSK-3beta described to date. Their inhibitory activity is likely related to the cysteine residue present in the ATP-binding site, which is proposed as a
Alexandra Vinagre et al.
The journal of adhesive dentistry, 17(2), 107-116 (2015-04-29)
This study compared the microtensile bond strengths (μTBS) of two etch-and-rinse (ER) (OptiBond FL [OBFL]; Prime & Bond NT [PBNT]) and three self-etching (SE) (Clearfil SE Bond [CSEB]; Xeno III [XIII]; Xeno V+ [XV+]) adhesives systems to bur-prepared human enamel
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