Preferred name | methyl nicotinate |
Trivial Name | Methyl nicotinate |
Short Description | 3-pyridinecarboxylic acid, methyl ester |
Formula | C7 H7 N O2 |
CAS Number | 93-60-7 |
FEMA Number | 3709 |
Flavis Number | 14.071 |
ECHA Number | 202-261-8 |
FDA UNII | 7B1AVU9DJN |
Nikkaji Number | J39.098D |
Beilstein Number | 0113951 |
MDL | MFCD00006388 |
COE Number | 14071 |
Bio Activity Summary | External link |
NMR Predictor | External link |
JECFA Food Flavoring | 1320 methyl nicotinate |
FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
FDA Mainterm | 93-60-7 ; METHYL NICOTINATE |
Synonyms |
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Perfumer & Flavorists | Start search |
EU Patents | Start search |
PubMeb | Start search |
NCBI | Start search |
methyl pyridine-3-carboxylate | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 93-60-7 |
Pubchem (cid): | 7151 |
Pubchem (sid): | 134973005 |
Pherobase: | View |
(IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
Videos: | The Periodic Table of Videos |
tgsc: | Atomic Weights use for this web site |
(IUPAC): | Periodic Table of the Elements |
FDA Substances Added to Food (formerly EAFUS): | View |
CHEMBL: | View |
KEGG (GenomeNet): | D04991 |
HMDB (The Human Metabolome Database): | HMDB29806 |
FooDB: | FDB001015 |
Export Tariff Code: | 2933.39.9100 |
Typical G.C. | |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Wikipedia: | View |
Material listed in food chemical codex | No |
Molecular weight | 137.13818359375 |
Melting Point | 38 to 43°C @ 760 mm Hg |
Vapor Pressure | 0.208 mmHg @ 25 °C |
Flash Point TCC Value | 95.56 °C TCC |
logP (o/w) | 0.83 |
Solubility | |
alcohol | Yes |
water, 47600 mg/L @ 20 °C (exp) | Yes |
Odor Type: Herbal | |
warm, herbal, tobacco | |
General comment | At 10.00 % in dipropylene glycol. warm herbal tobacco |
(data available) |
Applications | |
Odor purposes | Herbal , Plum mirabelle plum , Tobacco |
Flavoring purposes | Tonic |
Other purposes | Soothing agents |
Cosmetic purposes | Soothing agents , Tonic |
Preferred SDS: View | |
European information : | |
Most important hazard(s): | |
Xi - Irritant | |
R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 37/39 - Wear suitable gloves and 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: | |
oral-mouse LD50 2800 mg/kg (Pellmont, 1977) parenteral-mouse LDLo 2000 mg/kg "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 691, 1955. | |
Dermal Toxicity: | |
subcutaneous-mouse LD > 1000 mg/kg "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 428, 1948. | |
Inhalation Toxicity: | |
Not determined |
Category: | |||
flavor and fragrance agents | |||
RIFM Fragrance Material Safety Assessment: Search | |||
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
Recommendation for methyl nicotinate usage levels up to: | |||
0.5000 % in the fragrance concentrate. | |||
Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.49 (μg/capita/day) | ||
Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.20 (μg/capita/day) | ||
Structure Class: | II | ||
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
publication number: 13 | |||
Click here to view publication 13 | |||
average usual ppm | average maximum ppm | ||
baked goods: | - | 40.00000 | |
beverages(nonalcoholic): | - | 2.00000 | |
beverages(alcoholic): | - | 10.00000 | |
breakfast cereal: | - | - | |
cheese: | - | - | |
chewing gum: | - | - | |
condiments / relishes: | - | - | |
confectionery froastings: | - | - | |
egg products: | - | - | |
fats / oils: | - | - | |
fish products: | - | - | |
frozen dairy: | - | 10.00000 | |
fruit ices: | - | - | |
gelatins / puddings: | - | 10.00000 | |
granulated sugar: | - | - | |
gravies: | - | - | |
hard candy: | - | 20.00000 | |
imitation dairy: | - | - | |
instant coffee / tea: | - | - | |
jams / jellies: | - | 20.00000 | |
meat products: | - | - | |
milk products: | - | - | |
nut products: | - | - | |
other grains: | - | - | |
poultry: | - | - | |
processed fruits: | - | - | |
processed vegetables: | - | - | |
reconstituted vegetables: | - | - | |
seasonings / flavors: | - | - | |
snack foods: | - | - | |
soft candy: | - | - | |
soups: | - | - | |
sugar substitutes: | - | - | |
sweet sauces: | - | - |
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 77, Revision 2 (FGE.77Rev2): 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.24Rev2 (2013) View page or View pdf |
Scientific opinion on flavouring group evaluation 77, revision 3 (FGE.77Rev3): 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.24Rev2 View page or View pdf |
EPI System: View |
ClinicalTrials.gov:search |
Daily Med:search |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):93-60-7 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :7151 |
National Institute of Allergy and Infectious Diseases:Data |
WGK Germany:3 |
methyl pyridine-3-carboxylate |
Chemidplus:0000093607 |
RTECS:QT1925000 for cas# 93-60-7 |