Benzyl nicotinate

Basic Information

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CAS Number

94-44-0

Molecular Formula

C13H11NO2

Molecular Weight

213.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

24 °C

Boiling Point

177 °C/8 mmHg

Density

1,1165 g/cm3

Refractive Index

n20/D 1.570

SMILES

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O=C(c1cccnc1)OCc1ccccc1

InChI

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

InChIKey

KVYGGMBOZFWZBQ-UHFFFAOYSA-N

LogP

2.4386

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

224

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

Benzyl nicotinate
Benzyl pyridine-3-carboxylate~Nicotinic acid benzyl ester
Nicotinic acid benzyl ester
benzyl pyridine-3-carboxylate
: Benzyl nicotinate
Rubriment
Pykaryl
Pycaril
Niacin benzyl ester
3-Pyridinecarboxylic acid, phenylmethyl ester
Benzylis nicotinas
Nicotinsaeurebenzylester
NICOTINIC ACID, BENZYL ESTER
Pyridin-3-carbonsaeurebenzylester
Phenylmethyl 3-pyridinecarboxylate
Estru benzylowego kwasu nikotynowego
Benzyl nicotinate [JAN]
S497LCF9C9
Estru benzylowego kwasu nikotynowego [Polish]
KVYGGMB
Nicotinic acid, benzyl ester (6CI, 7CI, 8CI)
Benzyl pyridine-3-carboxylate
Pyridine-3-carboxylic acid benzyl ester
Nicotinic Acid Benzyl Ester

MDL Number

MFCD00023584

Customs Code

2933399090

FAQ

What is Benzyl nicotinate (CAS: 94-44-0)?

Benzyl nicotinate is a chemical compound with the CAS number 94-44-0. It is an ester of nicotinic acid and benzyl alcohol, commonly used in pharmaceutical and cosmetic applications. The chemical formula is C12H13NO3, and it is a white crystalline solid with a faintly aromatic odor. It is soluble in organic solvents and has a melting point around 105°C.

What are the main uses of Benzyl nicotinate (CAS: 94-44-0)?

Benzyl nicotinate is primarily used in the pharmaceutical industry as a topical treatment for muscle pain and inflammation. It is also employed in the formulation of skincare products and as a preservative in certain cosmetic applications. Additionally, it serves as an intermediate in the synthesis of various organic compounds and is used in research for its biological and chemical properties.

Is Benzyl nicotinate (CAS: 94-44-0) safe?

Benzyl nicotinate is generally considered safe when used as directed, but it should be handled with care. It is low in toxicity, though skin irritation may occur in some individuals. Safety standards recommend using appropriate personal protective equipment (PPE) during handling. It is not classified as a hazardous substance under most regulatory frameworks, but proper ventilation and storage are essential for safe use.

How should Benzyl nicotinate (CAS: 94-44-0) be stored?

Benzyl nicotinate should be stored in a cool, dry place away from direct light. It is best kept in a sealed container at a temperature below 25°C and with humidity levels below 60%. Avoid exposure to air and moisture to maintain stability and prevent degradation. Proper storage ensures the compound remains effective and safe for use over time.