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03-1730

Sigma-Aldrich

Benzyl benzoate

SAJ first grade, ≥98.0%

Synonym(s):

Benzoic acid benzyl ester

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About This Item

Linear Formula:
C6H5COOCH2C6H5
CAS Number:
120-51-4
Molecular Weight:
212.24
Beilstein:
2049280
MDL number:
MFCD00003075
UNSPSC Code:
12352108
PubChem Substance ID:
329747569

grade

SAJ first grade

vapor pressure

1 mmHg ( 125 °C)

Assay

≥98.0%

form

liquid

autoignition temp.

896 °F

availability

available only in Japan

refractive index

n20/D 1.568 (lit.)

bp

323-324 °C (lit.)

mp

17-20 °C (lit.)

density

1.118 g/mL at 20 °C (lit.)

SMILES string

O=C(OCc1ccccc1)c2ccccc2

InChI

1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2

InChI key

SESFRYSPDFLNCH-UHFFFAOYSA-N

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Pictograms

Exclamation markEnvironment
GHS07,GHS09

Signal Word

Warning

Hazard Statements

H302,H410

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

298.4 °F

Flash Point(C)

148 °C

Certificates of Analysis (COA)

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A K Charles et al.
Journal of applied toxicology : JAT, 29(5), 422-434 (2009-04-02)
Benzyl salicylate, benzyl benzoate and butylphenylmethylpropional (Lilial) are added to bodycare cosmetics used around the human breast. We report here that all three compounds possess oestrogenic activity in assays using the oestrogen-responsive MCF7 human breast cancer cell line. At 3
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