ChemicalBook--->CAS DataBase List--->94-44-0

94-44-0

94-44-0 Structure

94-44-0 Structure
IdentificationMore
[Name]

Benzyl nicotinate
[CAS]

94-44-0
[Synonyms]

BENZYL NICOTINATE
NICOTINIC ACID BENZYL ESTER
RUBRIMENT
3-Pyridinecarboxylic acid, phenylmethyl ester
3-Pyridinecarboxylicacid,phenylmethylester
Benzyl pyridine-3-carboxylate
benzylpyridine-3-carboxylate
Estru benzylowego kwasu nikotynowego
estrubenzylowegokwasunikotynowego
Niacin benzyl ester
niacinbenzylester
Pycaril
Pykaryl
Pyridine-3-carboxylic acid benzyl ester
BenzylNicotinate,>98%
Benzylnicotinat
3-Pyridinecarboxylic acid benzyl ester
Nicotinic acid benzyl
[EINECS(EC#)]

202-332-3
[Molecular Formula]

C13H11NO2
[MDL Number]

MFCD00023584
[Molecular Weight]

213.23
[MOL File]

94-44-0.mol
Chemical PropertiesBack Directory
[Melting point ]

24 °C (lit.)
[Boiling point ]

177 °C/8 mmHg (lit.)
[density ]

1,1165 g/cm3
[refractive index ]

n20/D 1.570
[Fp ]

170°C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Sparingly), Methanol (Slightly)
[form ]

neat
[pka]

3.16±0.10(Predicted)
[color ]

Colourless to Light Beige
[Merck ]

14,6526
[BRN ]

159169
[LogP]

2.400
[Uses]

benzyl nicotinate can increase skin oxygenation—thanks to vasodilatation properties—and help stimulate the healing process of wounded skin. It is an ester form of niacin (vitamin B), benzyl alcohol, and nicotinic acid.
[CAS DataBase Reference]

94-44-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Nicotinic acid, benzyl ester(94-44-0)
[EPA Substance Registry System]

94-44-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/38:Irritating to eyes and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

2
[RTECS ]

QT0850000
[F ]

8
[TSCA ]

Yes
[HS Code ]

2933399990
Hazard InformationBack Directory
[Chemical Properties]

Benzyl nicotinate is a benzyl ester resulting from the formal condensation of the carboxy group of nicotinic acid with benzyl alcohol. It derives from a nicotinic acid. It is a vasodilator agent and is also generally used in cosmetics and drugs.It has been used as a rubefacient.
Benzyl nicotinate can be used for the synthesis of benzylpalladium complexes to be used as catalysts for the substitution of olefins with benzylic groups.
[Definition]

ChEBI: A benzyl ester resulting from the formal condensation of the carboxy group of nicotinic acid with benzyl alcohol. It has been used as a rubefacient.
[Synthesis Reference(s)]

Synthetic Communications, 14, p. 515, 1984 DOI: 10.1080/00397918408059573
[General Description]

Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards. Benzyl Nicotinate is a medication widely used as a vasodilator, that widens blood vessels. It basically oxygenates and flushes the skin′s capillaries.
[Clinical Use]

Benzyl nicotinate is used in combination with heparin in the treatment of inflammation of vein (thrombophlebitis), pain in dilated veins area, pains and cramps in the leg muscles, disturbances of lymph circulation, traffic and sports related injuries, postoperative and posttraumatic scars, non-joint rheumatism or soft tissue rheumatism.
Spectrum DetailBack Directory
[Spectrum Detail]

Benzyl nicotinate(94-44-0)MS
Benzyl nicotinate(94-44-0)1HNMR
Benzyl nicotinate(94-44-0)13CNMR
Benzyl nicotinate(94-44-0)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Benzyl nicotinate, 99%(94-44-0)
[Sigma Aldrich]

94-44-0(sigmaaldrich)
[TCI AMERICA]

Benzyl Nicotinate,>98.0%(GC)(94-44-0)
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