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Merck
CN

72351

Benzyl nicotinate

≥98.0% (GC)

Synonym(s):

Nicotinic acid benzyl ester

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About This Item

Empirical Formula (Hill Notation):
C13H11NO2
CAS Number:
94-44-0
Molecular Weight:
213.23
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57652415
EC Number:
202-332-3
Beilstein/REAXYS Number:
159169
MDL number:
MFCD00023584
Assay:
≥98.0% (GC)
Form:
liquid

Key Documents

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Product Name

Benzyl nicotinate, ≥98.0% (GC)

InChI key

KVYGGMBOZFWZBQ-UHFFFAOYSA-N

InChI

1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2

SMILES string

O=C(OCc1ccccc1)c2cccnc2

assay

≥98.0% (GC)

form

liquid

refractive index

n20/D 1.570

bp

177 °C/8 mmHg (lit.)

mp

24 °C (lit.)

functional group

ester
phenyl

Quality Level

100

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Application

Benzyl nicotinate can be used for the synthesis of benzylpalladium complexes to be used as catalysts for the substitution of olefins with benzylic groups.

General description

Benzyl nicotinate is a benzyl ester. It is a vasodilator agent and is also generally used in cosmetics and drugs.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCG9735
BCCF5622
BCCD3671
BCBW0952
BCBV8318

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K Neukam et al.
Skin pharmacology and physiology, 24(2), 67-74 (2010-11-20)
Skin sensitivity is a common problem in the Western population correlated with changes of skin properties like skin barrier function, hydration and skin physiology. Skin properties can be modulated by dietary fatty acids (FA), especially poly-unsaturated FA. The present study
Efficient transesterification/acylation reactions mediated by N-heterocyclic carbene catalysts.
Grasa GA, et al.
The Journal of Organic Chemistry, 68(7), 2812-2819 (2003)
Jean-Michel Andanson et al.
Journal of biomedical optics, 14(3), 034011-034011 (2009-07-02)
Infrared (IR) spectroscopy is one of the most chemically specific analytical methods that gives information about composition, structure, and interactions in a material. IR spectroscopy has been successfully applied to study the permeation of xenobiotics through the skin. Combining IR
Ute Jacobi et al.
Journal of biomedical optics, 11(1), 014025-014025 (2006-03-11)
The topical application of drugs, such as nicotinates, affects cutaneous blood flow. Such a biological response, which is dependent on the drug and the individual, can be measured noninvasively using laser Doppler flowmetry. We illustrate the kinetics of vasodilation caused
Elnaz F Firoz et al.
Journal of the American Academy of Dermatology, 60(5), 861-863 (2009-04-25)
Lip plumpers are relatively new topical agents on the market that are designed to increase lip volume minutes to days after application. In this report, we describe a case of lip plumper contact urticaria in a young boy. We also
View All Related Papers

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