Benzyl nicotinate (JAN)

Names

[ CAS No. ]:
94-44-0

[ Name ]:
Benzyl nicotinate (JAN)

[Synonym ]:
Pyridine-3-carboxylic Acid Benzyl Ester
Pyridine-b-carboxylic Acid Benzyl Ester
Benzyl nicotinate
Benzyl nicotinate (JAN)
benzyl pyridine-3-carboxylate
MFCD00023584
3-Pyridinecarboxylic acid, phenylmethyl ester
nicotinic acid benzyl ester
3-Pyridinecarboxylic acid phenylmethyl ester
EINECS 202-332-3

Biological Activity

[Description]:

Benzyl nicotinate, a vasodilator, is used as an active ingredient that causes hyperemia[1][2].

[Related Catalog]:

Research Areas >> Cardiovascular Disease

Signaling Pathways >> Others >> Others

[References]

[1]. Erjavec V, et al. In vivo study of liposomes as drug carriers to oral mucosa using EPR oximetry. Int J Pharm. 2006;307(1):1-8.

[2]. Petelin M, et al. In vivo study of different ointments for drug delivery into oral mucosa by EPR oximetry. Int J Pharm. 2004;270(1-2):83-91.

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
334.1±17.0 °C at 760 mmHg

[ Melting Point ]:
24 °C(lit.)

[ Molecular Formula ]:
C₁₃H₁₁NO₂

[ Molecular Weight ]:
213.232

[ Flash Point ]:
155.8±20.9 °C

[ Exact Mass ]:
213.078979

[ PSA ]:
39.19000

[ LogP ]:
2.65

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.583

[ Storage condition ]:
2~8℃

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QT0850000

CHEMICAL NAME :: Nicotinic acid, benzyl ester

CAS REGISTRY NUMBER :: 94-44-0

BEILSTEIN REFERENCE NO. :: 0159169

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C13-H11-N-O2

MOLECULAR WEIGHT :: 213.25

WISWESSER LINE NOTATION :: T6NJ CVO1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2188 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: BCTKAG Bromatologia i Chemia Toksykologiczna. (Ars Polona, POB 1001, 00-068 Warsaw 1, Poland) V.4- 1971- Volume(issue)/page/year: 12,79,1979

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 11,242,1956

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319

[ Precautionary Statements ]:
P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/38

[ Safety Phrases ]:
S26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
QT0850000

[ HS Code ]:
2933399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2933399090

[ Summary ]:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Effects of water activity and low molecular weight humectants on skin permeability and hydration dynamics - a double-blind, randomized and controlled study.

Int. J. Cosmet. Sci. 36(5) , 412-8, (2014)

The mammalian skin is a barrier that effectively separates the water-rich interior of the body from the normally dryer exterior. Changes in the external conditions, for example ambient humidity, have ...

[On interactions of drugs on and in the skin/comparative studies on the mutual influences of ethyleneglycol-monosalicylate and benzylnicotinate (author's transl)].

Derm. Beruf Umwelt. 29(6) , 161-7, (1981)

Three radioactively marked substances (on the basis of a carbopol gel, 80% water - isopropanol) were analyzed comparatively in regard to the penetration of ethyleneglycolmonosalicylate and benzylnicot...

Kinetics of blood flow after topical application of benzyl nicotinate on different anatomic sites.

Arch. Dermatol. Res. 298(6) , 291-300, (2006)

Cutaneous characteristics, e.g., thickness of the SC and density of follicles, affect the penetration of topically applied substances. In the present study, the penetration of benzyl nicotinate, causi...