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

ethyl nicotinate
3-pyridinecarboxylic acid, ethyl ester

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Name:ethyl pyridine-3-carboxylate
CAS Number: 614-18-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-370-7
FDA UNII:NIJ3H353YH
Nikkaji Web:J27.971D
Beilstein Number:0122937
MDL:MFCD00006389
XlogP3:1.30 (est)
Molecular Weight:151.16513000
Formula:C8 H9 N O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:cosmetic, flavor and fragrance 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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:14.110 (Old)
DG SANTE Food Flavourings:14.110 ethyl nicotinate
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.10500 to 1.11100 @ 25.00 °C.
Pounds per Gallon - (est).: 9.195 to 9.245
Refractive Index:1.49800 to 1.50400 @ 20.00 °C.
Melting Point: 9.00 to 11.00 °C. @ 760.00 mm Hg
Boiling Point: 223.00 to 225.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.093400 mmHg @ 25.00 °C. (est)
Flash Point: 200.00 °F. TCC ( 93.33 °C. )
logP (o/w): 1.320
Soluble in:
 alcohol
 water, 5594 mg/L @ 25 °C (est)
 water, 5.60E+04 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
skin conditioning
 
Suppliers:
BOC Sciences
For experimental / research use only.
Ethyl Nicotinate
EMD Millipore
For experimental / research use only.
Ethyl 3-pyridinecarboxylate
Penta International
ETHYL NICOTINATE
Santa Cruz Biotechnology
For experimental / research use only.
Ethyl Nicotinate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Ethyl nicotinate 99%
TCI AMERICA
For experimental / research use only.
Ethyl Nicotinate >99.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 37/38 - Irritating to respiratory system and skin.
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 39 - Wear eye/face protection.
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: cosmetic, flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.013 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 400 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.100000.50000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.400002.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 1.000005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 2.0000010.00000
Meat and meat products, including poultry and game (08.0): 0.200001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.200001.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 24 (FGE.24): Pyridine, pyrrole, indole and quinoline derivatives from chemical group 28 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Pyridine, pyrrole, indole and quinoline derivatives from chemical group 28 Flavouring Group Evaluation 24, Revision 1 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 77 (FGE77) [1] - Consideration of Pyridine, Pyrrole and Quinoline Derivatives evaluated by JECFA (63rd meeting) structurally related to Pyridine, Pyrrole, Indole and Quinoline Derivatives evaluated by EFSA in FGE.24Rev1 (2008)
View page or View pdf

Scientific opinion on Flavouring Group Evaluation 24, Revision 2 (FGE.24Rev2): Pyridine, pyrrole, indole and quinoline derivatives from chemical group 28
View page or View pdf

EPI System: View
Cancer Citations:Search
Toxicology Citations:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):614-18-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :69188
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
ethyl pyridine-3-carboxylate
Chemidplus:0000614186
 
References:
 ethyl pyridine-3-carboxylate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:614-18-6
Pubchem (cid):69188
Pubchem (sid):135028452
Pherobase:View
 
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
CHEMBL:View
KEGG (GenomeNet):D08274
HMDB (The Human Metabolome Database):HMDB59846
FooDB:FDB001016
Export Tariff Code:2933.39.9100
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 skin conditioning
 
Occurrence (nature, food, other):note
 apricot fruit - up to 0.06 mg/kg
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 arctic bramble fruit - up to 0.05 mg/kg
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 beer - up to 1.4 mg/kg
Search PMC Picture
 champaca concrete @ 0.03%
Data GC Search Trop Picture
 orange pericarp oil
Search Trop Picture
 papaya fruit - up to 0.3 mg/kg
Search Trop Picture
 
Synonyms:
3-carbethoxypyridine
3-(ethoxycarbonyl) pyridine
3-(ethoxycarbonyl)pyridine
 ethyl 3-pyridine carboxylate
 ethyl 3-pyridinecarboxylate
 ethyl nicotinoate
 ethyl pyridine-3-carboxylate
 ethylnicotinate
 ignicut
 ignocut
 mucotherm
 nicaethan
 nicotine acid ethyl ester
 nicotinic acid ethyl ester
 nicotinic acid, ethyl ester
 nikethan
 nikithan
3-picolinic acid ethyl ester
3-pyridine carboxylic acid ethyl ester
beta-pyridine carboxylic acid ethyl ester
3-pyridinecarboxylic acid ethyl ester
3-pyridinecarboxylic acid, ethyl ester
 
 
Notes:
None found
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