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2-sec-butyl-3-methoxypyrazine
General Material Information
| Preferred name | 2-sec-butyl-3-methoxypyrazine |
| Trivial Name | 2-sec-Butyl-3-methoxypyrazine |
| Short Description | 2-methoxy-3-(1-methylpropyl)pyrazine |
| Formula | C9 H14 N2 O |
| CAS Number | 24168-70-5 |
| Deleted CAS Number | 123625-20-7 |
| FEMA Number | 3433 |
| Flavis Number | 14.062 |
| ECHA Number | 246-050-9 |
| FDA UNII | 62UR370ONE |
| Nikkaji Number | J126.473G |
| MDL | MFCD00006136 |
| COE Number | 11300 |
| xLogP3-AA | 1.60 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 791 2-methoxy-3-(1-methylpropyl)pyrazine |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 24168-70-5 ; 2-METHOXY-3-(1-METHYLPROPYL)PYRAZINE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| Leffingwell: | Chirality or Article |
| 2-butan-2-yl-3-methoxypyrazine | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 24168-70-5 |
| Pubchem (cid): | 520098 |
| Pubchem (sid): | 135263578 |
| Flavornet: | 24168-70-5 |
| Pherobase: | View |
Other Information
| (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 |
| HMDB (The Human Metabolome Database): | HMDB32933 |
| FooDB: | FDB010918 |
| Export Tariff Code: | 2933.99.8090 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 166.22378540039 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.304 to 8.388 |
| Refractive Index | 1.486 to 1.496 @ 20 °C |
| Boiling Point | 218 to 219°C @ 760 mm Hg |
| Vapor Pressure | 0.1 mmHg @ 25 °C |
| Vapor Density | 5.7 |
| Flash Point TCC Value | 77.22 °C TCC |
| logP (o/w) | 2.924 est |
| Solubility | |
| alcohol | Yes |
| water, 229.6 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| stable in most media | Unspecified |
Organoleptic Properties
| Odor Type: Green | |
| musty, pea green pea, galbanum, pepper bell pepper, green, vegetable, nutty, peppery, potato | |
| General comment | At 0.10 % in dipropylene glycol. musty green pea galbanum bell pepper |
| Mosciano, Gerard P&F 23, No. 3, 55, (1998) | At 1.00 %. Musty, green, vegetative, nutty, peppery and potato-like |
| Flavor Type: Vegetable | |
| musty, vegetable, potato, galbanum, fishy, earthy | |
| Mosciano, Gerard P&F 23, No. 3, 55, (1998) | At 1.00 ppm. Musty, vegetative, potato, galbanum, fishy and earthy |
| General comment | Strong green note, galbanum, potato |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Coffee , Fungus , Galbanum , Green |
| Flavoring purposes | Capsicum , Chocolate cocoa , Pea green pea , Pepper bell pepper , Potato , Vegetable |
| Other purposes | Grass |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 23 - Do not breath vapour. 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 36/37/39 - Wear suitable clothing, 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: | |
| gavage-mouse LD50 2000 mg/kg (Quest International, 1983b) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| 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 2-sec-butyl-3-methoxypyrazine usage levels up to: | |||
| 0.1000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.85 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (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: 8 | |||
| Click here to view publication 8 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.05000 | |
| beverages(nonalcoholic): | - | 0.05000 | |
| beverages(alcoholic): | - | 20.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 0.05000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.05000 | |
| fruit ices: | - | 0.05000 | |
| gelatins / puddings: | - | 0.05000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | 0.05000 | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
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) on a request from the Commission related to Flavouring Group Evaluation 17 (FGE.17): Pyrazine derivatives from chemical group 24 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 50 (FGE.50): Consideration of pyrazine derivatives evaluated by JECFA (57th meeting) structurally related to pyrazine derivatives evaluated by EFSA in FGE.17 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 17, Revision 1 (FGE.17Rev1): Pyrazine derivatives from chemical group 24 - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) [1] View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 17, Revision 2 (FGE.17Rev2): Pyrazine derivatives from chemical group 24 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 50, Revision 1 (FGE.50Rev1): Consideration of pyrazine derivatives evaluated by JECFA (57th meeting) structurally related to pyrazine derivatives evaluated by EFSA in FGE.17Rev2 (2010) View page or View pdf |
| Safety and efficacy of pyrazine derivatives including saturated ones belonging to chemical group 24 when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):24168-70-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :520098 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 2-butan-2-yl-3-methoxypyrazine |
| Chemidplus:0024168705 |