EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

benzyl nicotinate
nicotinic acid, benzyl ester

Sponsors

CAS Number: 94-44-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-332-3
FDA UNII:S497LCF9C9
Nikkaji Web:J60.115B
Beilstein Number:0159169
MDL:MFCD00023584
XlogP3:2.40 (est)
Molecular Weight:213.23607000
Formula:C13 H11 N O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:antistatic and conditioning agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.16500 @ 25.00 °C.
Boiling Point: 334.00 to 335.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.000131 mm/Hg @ 25.00 °C. (est)
Flash Point: 313.00 °F. TCC ( 155.80 °C. ) (est)
logP (o/w): 2.400
Soluble in:
 alcohol
 water, 333.3 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: antistatic agents
skin conditioning
 
Suppliers:
Aceto
Benzyl Nicotinate
BOC Sciences
For experimental / research use only.
Nicotinic Acid Benzyl Ester (Benzyl Nicotinate) > 95%
Odor: characteristic
Use: A metabolite of Nicotine,which is a potent parasympathomimetic stimulant
Penta International
BENZYL NICOTINATE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
Benzyl Nicotinate ≥98%
Sigma-Aldrich: Aldrich
For experimental / research use only.
Benzyl Nicotinate ≥98.0% (GC)
TCI AMERICA
For experimental / research use only.
Benzyl Nicotinate >98.0%(GC)
Zanos
Benzyl Nicotinate
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-mouse LD50 2188 mg/kg
Bromatologia i Chemia Toksykologiczna. Vol. 12, Pg. 79, 1979.

intravenous-mouse LD50 100 mg/kg
Pharmazie. Vol. 11, Pg. 242, 1956.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: antistatic and conditioning agents
Recommendation for benzyl nicotinate usage levels up to:
 not for fragrance use.
 
Recommendation for benzyl nicotinate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Cancer Citations:Search
Toxicology Citations:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):94-44-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7191
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
benzyl pyridine-3-carboxylate
Chemidplus:0000094440
RTECS:QT0850000 for cas# 94-44-0
 
References:
 benzyl pyridine-3-carboxylate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):7191
Pubchem (sid):134971132
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C12865
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2933.39.9100
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 antistatic agents
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzyl pyridine-3-carboxylate
 benzylnicotinate
 nicotinic acid benzyl ester
 nicotinic acid, benzyl ester
 phenylmethyl 3-pyridinecarboxylate
 phenylmethyl pyridine-3-carboxylate
 pyridine-3-carboxylic acid benzyl ester
 pyridine-b-carboxylic acid benzyl ester
3-pyridinecarboxylic acid phenylmethyl ester
3-pyridinecarboxylic acid, phenylmethyl ester
 rubriment
 

Articles:

Google Patents:Use of Benzyl Nicotinate for Pain Relief
PubMed:Effects of water activity and low molecular weight humectants on skin permeability and hydration dynamics - a double-blind, randomized and controlled study.
PubMed:Modulation of tumor hypoxia by topical formulations with vasodilators for enhancing therapy.
PubMed:Two 1,4-dihydropyridine derivatives with potential calcium-channel antagonist activity.
PubMed:Degradation kinetics of benzyl nicotinate in aqueous solution.
PubMed:Effect of a topical vasodilator on tumor hypoxia and tumor oxygen guided radiotherapy using EPR oximetry.
PubMed:Measurement of drug and macromolecule diffusion across atherosclerotic rabbit aorta ex vivo by attenuated total reflection-Fourier transform infrared imaging.
PubMed:In situ permeation study of drug through the stratum corneum using attenuated total reflectance [corrected] Fourier transform infrared spectroscopic imaging.
PubMed:Enhancement of bioavailability by lowering of fat content in topical formulations.
PubMed:Estimation of serum protein binding of compounds metabolized in serum using matrix inhibition.
PubMed:Influence of nanosized delivery systems with benzyl nicotinate and penetration enhancers on skin oxygenation.
PubMed:N-Benzyltetrahydropyrido-anellated thiophene derivatives: new anticholinesterases.
PubMed:Kinetics of blood flow after topical application of benzyl nicotinate on different anatomic sites.
PubMed:Comparison of blood flow to the cutaneous temperature and redness after topical application of benzyl nicotinate.
PubMed:In vivo study of liposomes as drug carriers to oral mucosa using EPR oximetry.
PubMed:In vivo study of different ointments for drug delivery into oral mucosa by EPR oximetry.
PubMed:Skin oxygenation after topical application of liposome-entrapped benzyl nicotinate as measured by EPR oximetry in vivo: influence of composition and size.
PubMed:Improved skin oxygenation after benzyl nicotinate application in different carriers as measured by EPR oximetry in vivo.
PubMed:Different effects of 4-(4'-chlorobenzyloxy)benzoic acid (MII) on lipid synthesis and cell growth in human and mouse skin fibroblasts.
PubMed:Effect of 4-(4'-chlorobenzyloxy)benzyl nicotinate (KCD-232) on cholesterol metabolism in rats.
PubMed:Effect of KCD-232, a new hypolipidemic agent, on serum lipoprotein changes in hepatoma-bearing rats.
PubMed:[Experimental nephrotic hyperlipidemia induced in rats by daunorubicin and effects of KCD-232[4-(4'-chlorobenzyloxy)benzyl nicotinate] on lipid metabolism].
PubMed:Percutaneous absorption in man: a kinetic approach.
PubMed:Effect of 4-(4'-chlorobenzyloxy)benzyl nicotinate (KCD-232) on triglyceride and fatty acid metabolism in rats.
PubMed:[Effects of 4-(4'-chlorobenzyloxy) benzyl nicotinate (KCD-232) on lipid metabolism in rats and mice].
PubMed:[Treatment of painful muscular disorders of various degrees of severity. Comparison of 2 new suppository preparations].
PubMed:[Short-term therapy of painful muscular disorders. Results of a multicenter double-blind test of 2 new suppository preparations with and without codeine].
PubMed:[Increased effectiveness of high-dose salicylate cream by iontophoresis].
PubMed:Effect of benzyl nicotinate on the percutaneous absorption of dexamethasone in the rat.
 
Notes:
None found
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