Benzyl nicotinate (JAN)

Suppliers

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

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

  • Methyl nicotinate
  • Benzyl alcohol
  • Nicotinic acid
  • Dibenzyl dicarbonate
  • Toluene
  • sodium nicotinate
  • Benzyl chloride
  • phenyl nicotinate
  • Nicotinic anhydride

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...


More Articles

Related Compounds

  • 4-(4'-chlorobenzyloxy)benzyl nicotinate
  • benzyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate
  • benzyl 4-carbamothioylpiperazine-1-carboxylate
  • BENZYL ALCOHOL, alpha-(2-(DIMETHYLAMINO)-1-PHENOXYETHYL)-, HYDROCHLORIDE
  • Benzyl 3-(Aminomethyl)-5-Methylpiperidine-1-Carboxylate Hydrochloride
  • benzyl ethyl oxalate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • [(1-cyclobutyl-1H-pyrazol-5-yl)methyl](2-methylbutan-2-yl)amine
  • [4-(Difluoromethoxy)-2-fluorophenyl]methanesulfonamide
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • benzyl N-[4-tert-butyl-1-(2-hydroxyethyl)cyclohexyl]carbamate
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 3-Amino-4-cyclopropyl-3-methylbutanamide
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide