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Key Documents

B9550

Sigma-Aldrich

Benzyl benzoate

meets USP testing specifications

Synonym(s):

Benzoic acid benzyl ester

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About This Item

Linear Formula:
C6H5COOCH2C6H5
CAS Number:
Molecular Weight:
212.24
Beilstein:
2049280
EC Number:
MDL number:
UNSPSC Code:
12161700
PubChem Substance ID:
NACRES:
NA.25

Agency

USP/NF
meets USP testing specifications

Quality Level

vapor pressure

1 mmHg ( 125 °C)

form

liquid

autoignition temp.

896 °F

color

clear

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.)

application(s)

pharmaceutical (small molecule)

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

Signal Word

Warning

Hazard Statements

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 - closed cup

Flash Point(C)

148 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Karina Caballero-Gallardo et al.
Journal of agricultural and food chemistry, 59(5), 1690-1696 (2011-02-05)
A tool for integrated pest management is the use of essential oils (EOs) and plant extracts. In this study, EOs from Tagetes lucida , Lepechinia betonicifolia , Lippia alba , Cananga odorata , and Rosmarinus officinalis , species grown in
Mutasem O Taha et al.
Journal of medicinal chemistry, 51(20), 6478-6494 (2008-09-24)
Hormone sensitive lipase (HSL) has been recently implicated in diabetes and obesity, prompting attempts to discover new HSL inhibitors. Toward this end, we explored the pharmacophoric space of HSL inhibitors using four diverse sets of compounds. Subsequently, genetic algorithm and
Haribalan Perumalsamy et al.
Journal of medical entomology, 51(3), 650-657 (2014-06-06)
Pyroglyphid house dust mites are the most common cause of allergic symptoms in humans. An assessment was made of the toxicity of basil, Ocimum basilicum L, essential oil, 11 basil oil constituents, seven structurally related compounds, and another 22 previously

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