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Safety Information

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:
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 Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

190.4 °F - closed cup

Flash Point(C)

88 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

E12907-BULK:
E12907-100G:
E12907-5G:
E12907-VAR:
E12907-500G:
E12907-CH:
E12907-3KG:

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Certificates of Analysis (COA)

Lot/Batch Number
STBK6360
STBK5119
STBJ7313
STBJ6774
STBH6837

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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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