Benzyl nicotinate (JAN)

Modify Date: 2026-07-01 12:04:57

Benzyl nicotinate (JAN) Structure
Benzyl nicotinate (JAN) structure
Common Name Benzyl nicotinate (JAN)
CAS Number 94-44-0 Molecular Weight 213.232
Density 1.2±0.1 g/cm3 Boiling Point 334.1±17.0 °C at 760 mmHg
Molecular Formula C13H11NO2 Melting Point 24 °C(lit.)
MSDS Chinese USA Flash Point 155.8±20.9 °C
Symbol GHS07
GHS07
Signal Word Warning

 Use of Benzyl nicotinate (JAN)


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

 Names

Name Benzyl nicotinate
Synonym More Synonyms

 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
InChIKey KVYGGMBOZFWZBQ-UHFFFAOYSA-N
SMILES O=C(OCc1ccccc1)c1cccnc1
Storage condition 2~8℃

 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
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

 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%

 Articles19

More 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...

 Benzyl nicotinate (JAN)Bioassay

View more

Name: Membrane permeability, CA(t)/CD(0) in 70% silicon-30% IPM membrane
Source: ChEMBL
Target: N/A
External Id: CHEMBL865960
Name: Effective permeability coefficient in 70% silicon-30% IPM membrane
Source: ChEMBL
Target: N/A
External Id: CHEMBL865961
Name: Dissociation constant, pKa of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL865962
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Membrane retention in 100% silicon membrane
Source: ChEMBL
Target: N/A
External Id: CHEMBL865963
Name: Cytotoxicity counterscreen for inhibitors of SARS-CoV-2 cell entry
Source: NCGC
Target: N/A
External Id: TRND-SARS-CoV-2-cytotox-48hr
Name: Effective permeability coefficient in 100% silicon membrane
Source: ChEMBL
Target: N/A
External Id: CHEMBL865955
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 Synonyms

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
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