Articles:
| PubMed: | Prenyl Ethers: Novel Fungal Volatiles Formed by Penicillium digitatum. |
| PubMed: | Identification of prenyl ethyl ether as a source of metallic, solvent-like off-flavor in hazelnut. |
1-ethoxy-3-methyl-2-butene
Notes:
Flavouring ingredient
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 22094-00-4 1-Ethoxy-3-methyl-2-butene
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 05-08892 1-ETHOXY-3-METHYL-2-BUTENE
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WholeChem, LLC Connecting Innovators To the Building Blocks Of the Universe Custom manufacturer and distributor of specialty ingredients. We make global local. SQF-Certified Supplier We owe our success to our integrity, our dedication to the industry, and our commitment to our clients. We invite your inquiries regarding our current product list and any other products you may be having trouble sourcing. Email: Info Email: Orders Voice: +1 (262) 995.8668 Certification Our Services Products List: View Product(s): 1-Ethoxy-3-methyl-2-butene
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| CAS Number: | 22094-00-4 |  3D/inchi
|
| FDA UNII: | 775CF2Y50F | |
| Nikkaji Web: | J354.559H | |
| XlogP3-AA: | 1.90 (est) | |
| Molecular Weight: | 114.18778000 | |
| Formula: | C7 H14 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: 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 |
| JECFA Food Flavoring: | 1232 1-ethoxy-3-methyl-2-butene |
| DG SANTE Food Flavourings: | 03.019 prenyl ethyl ether |
| FEMA Number: | 3777 1-ethoxy-3-methyl-2-butene |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 22094-00-4 ; 1-ETHOXY-3-METHYL-2-BUTENE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 99.40 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.79700 to 0.80200 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 6.632 to 6.673 |
| Refractive Index: | 1.41600 to 1.42200 @ 20.00 °C. |
| Boiling Point: | 120.00 to 121.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 17.457001 mmHg @ 25.00 °C. (est) |
| Flash Point: | 32.00 °F. TCC ( 0.00 °C. ) |
| logP (o/w): | 2.393 (est) |
| Soluble in: | |
| alcohol | |
| water, 1009 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| fruity green grassy | |
| Odor Description: at 100.00 %. | fruity green grassy |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 1-Ethoxy-3-methyl-2-butene |
| Parchem |
| prenyl ethyl ether |
| Penta International |
| 1-ETHOXY-3-METHYL-2-BUTENE |
| WholeChem |
| 1-Ethoxy-3-methyl-2-butene |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 11 - Highly flammable. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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 33 - Take precautionary measures against static discharge. 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-rat LD50 [sex: M] see below mg/kg 24 hours:1000 – 8000 ; 14 days:1000 – 4000 (Bähler and Bonetti, 1983) | |
| 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 prenyl ethyl ether usage levels up to: | |||
| 0.6000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 21.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 2.00 (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: 16 | |||
| Click here to view publication 16 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 0.10000 | 0.50000 | |
| beverages(alcoholic): | 0.50000 | 3.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 0.50000 | 15.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 0.70000 | 2.50000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.30000 | 1.50000 | |
| fruit ices: | 0.60000 | 2.20000 | |
| gelatins / puddings: | 0.80000 | 3.00000 | |
| granulated sugar: | 1.00000 | 5.00000 | |
| gravies: | - | - | |
| hard candy: | 2.00000 | 5.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 0.10000 | 0.50000 | |
| jams / jellies: | 0.80000 | 3.00000 | |
| meat products: | - | - | |
| milk products: | 0.30000 | 1.50000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 1.00000 | 5.00000 | |
| snack foods: | - | - | |
| soft candy: | 1.00000 | 5.00000 | |
| soups: | - | - | |
| sugar substitutes: | 1.00000 | 5.00000 | |
| 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) related to Flavouring Group Evaluation 23 (FGE.23): Aliphatic, alicyclic and aromatic ethers including anisole derivatives From chemical groups 15, 16 and 26 (Commission Regulation (EC) No 1565/2000 of 18 July 2000 View page or View pdf | |
| Flavouring Group Evaluation 59 (FGE.59): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 (2006) (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 23, Revision 1 (FGE.23Rev1): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 26 and 30[1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 59, Revision 1 (FGE.59Rev1): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting and 63rd meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 Rev2 (2010) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5463936 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 1-ethoxy-3-methylbut-2-ene | |
| Chemidplus: | 0022094004 |
References:
| 1-ethoxy-3-methylbut-2-ene | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5463936 |
| Pubchem (sid): | 135263446 |
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 |
| HMDB (The Human Metabolome Database): | HMDB38052 |
| FooDB: | FDB017263 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| citrus | FR | |
| fruit | FR | |
| grass | ||
| green | FR | |
| lemon | FR |
Occurrence (nature, food, other): note
| citrus oils Search PMC Picture |
Synonyms:
| 2- | butene, 1-ethoxy-3-methyl- |
| ether, ethyl 3-methyl-2-butenyl | |
| 1- | ethoxy-3-methyl-2-butene |
| 1- | ethoxy-3-methylbut-2-ene |
| ethyl 3-methyl-2-butenyl ether | |
| ethyl 3-methylbut-2-en-1-yl ether |