Articles:
| PubMed: | Chemistry of fruit flies: Glandular secretion ofBactrocera (Polistomimetes) visenda (Hardy). |
3-methylcrotonaldehyde
Notes:
Present in blackberry, grape brandy, cocoa, currants, baked potato, tea, costmary and white bread. Flavouring ingredient
3-Methyl-2-butenal is derivative of acrolein that is an alpha, beta unsaturated carbonyl metabolite. It can be formed endogenously during lipid peroxidation or after oxidative stress, and is considered to play an important role in human carcinogenesis. The endogenously formed acroleins are a constant source of DNA damage, can lead to mutation and can also induce tumors in humans. (PMID: 8319634); 3-methyl-2-butenal, which is an unsaturated aldehyde bearing substitution at the alkene terminus, is a poor inactivator of the enzymes protein tyrosine phosphatases (PTPs). The inactivation of PTPs can yield profound biological consequences arising from the disruption of cellular signaling pathways (PMID: 17655273).
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Beijing Lys Chemicals Co, LTD. From Grams to Tons Fine chemical high-tech company which contains R&D, production, and sales. BEIJING LYS CHEMICALS CO, LTD, established in 2004, is a fine chemical high-tech company which contains R&D, production, and sales. We mainly engaged in export and technology development of flavor and fragrance materials and pharmaceutical intermediates. We have nearly 500 kinds of products, from grams to tons, exported to USA, Europe, South Asia and etc. And we custom manufacture new products according to customers’ needs, and serve good quality products and service. Our goal is to become a fine chemical enterprise which could provide special products and services. Email: Mr. Jia Email: Mr. Guo Voice: 86-10-68418738 Fax: 86-10-68418739 Mr. Guo 86-10-68483445 Mr. Guo 86-10-68418739 News Product(s): 10165 3-Methyl-2-butenal
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M&U International LLC Steady supply & demand Meeting customers increasing demands at home as well as abroad. M&U dedicates itself to the development and production of new products as well as continuously promoting those new products. We’ve maintained a steady supply&demand relationship with a large number of manufacturers at home and abroad. We’ve developed an extensive network and because of our relationships with these manufacturers, we’re able to provide a stable supply of great quality materials. We’re located in China’s largest communications hub, Shanghai and in the U.S. near one of the largest sea ports on the East Coast. The strategic locations of our facilities ensure convenient, prompt and secure delivery of our products to our customers. Email: Sales US Email: Sales Voice: +86-21-32515501 60762991 60762992 Fax: +86-21-32515502 64204960 US Voice: 908-359-9000 US Fax: 908-359-9002 News Product(s): A0319 3-METHYL-2-BUTENAL, Kosher
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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): 13-30500 3-METHYL-2-BUTENAL 13-30490 3-METHYL-2-BUTENAL NATURAL 10% IN NEOBEE
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Sigma-Aldrich Complete Supply Chain The perfect blend of products and services that bring your creativity to life. Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards. Email: Information US Email: Sales US Voice: 800-244-1173 US Fax: 800-368-4661 Facebook Twitter Instagram Linkedin Flavors and Fragrances Analysis FandF Newsletter Subscription Flavors and Fragrances Learning Center Certified Food Grade Products Product(s): W364620 3-Methyl-2-butenal, ≥97%, FG SDS
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Synerzine, Inc. Innovation. Customization. Aroma Ingredients. Synerzine is a leading supplier of flavor and fragrance ingredients. Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust. Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster. US Email: Customer Service US Email: Sales US Voice: (404) 524-6744 US Fax: (404) 577-1651 Inquiry Products List: View Product(s): W1353 3-Methyl-2-butenal W1353R 3-METHYL-2-BUTENAL, RE-DISTILLED
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): M0770 3-Methyl-2-butenal >97.0%(GC)
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Ernesto Ventós S.A. Leaders in essence We employ our five senses to do our job well. Ventos has specialized in the distribution of raw materials for the flavour and fragrance industry. With more than 1700 references permanently available from stock, we offer a just-in-time response to our customer needs, being able to deliver from 1kg to several tonnes all over the world. Email: Information US Email: Information USA Email: Gemma Parramon (Europe) US Email: Gemma Parramon (Europe) Email: Jorge Sos (Asia) Email: Ramon Rubau (America) Voice: +34 934706210 Fax: +34 934733010 US Voice: +1 856 226 7501 Instagram Linkedin Youtube Press Ads Videos Product(s): PRENAL
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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): 3-Methyl-2-butenal
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| CAS Number: | 107-86-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 203-527-6 | |
| FDA UNII: | 2JZ2B60W76 | |
| Nikkaji Web: | J9.338F | |
| Beilstein Number: | 1734740 | |
| MDL: | MFCD00010291 | |
| CoE Number: | 10354 | |
| XlogP3-AA: | 1.20 (est) | |
| Molecular Weight: | 84.11796000 | |
| Formula: | C5 H8 O | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome, Edge 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: | 1202 3-methyl-2-butenal |
| DG SANTE Food Flavourings: | 05.124 3-methylcrotonaldehyde |
| FEMA Number: | 3646 3-methyl-2-butenal |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 107-86-8 ; 3-METHYL-2-BUTENAL |
Physical Properties:
| Appearance: | colorless to yellow clear liquid (est) |
| Assay: | 99.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.87600 to 0.88300 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 7.298 to 7.356 |
| Refractive Index: | 1.46000 to 1.46400 @ 20.00 °C. |
| Boiling Point: | 133.00 to 135.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 8.253000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 92.00 °F. TCC ( 33.33 °C. ) |
| logP (o/w): | 1.190 (est) |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| water, 1.342e+004 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| sweet fruity pungent brown nutty almond cherry | |
| Odor Description: at 1.00 % in dipropylene glycol. | sweet fruity pungent brown nutty almond cherry |
| sweet fruity pungent brown nutty almond cherry | |
| Odor Description: | sweet, fruity, pungent, brown and nutty with an almond and cherry nuance Mosciano, Gerard P&F 19, No. 3, 51, (1994) |
| Flavor Type: fruity | |
| sweet fruity green nutty cherry | |
| Taste Description: at 25.00 ppm. | Sweet, fruity and green with a nutty and cherry background Mosciano, Gerard P&F 19, No. 3, 51, (1994) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Beijing Lys Chemicals |
| 3-Methyl-2-butenal |
| BOC Sciences |
| For experimental / research use only. |
| 3-Methylcrotonaldehyde |
| Ernesto Ventós |
| PRENAL |
| M&U International |
| 3-METHYL-2-BUTENAL, Kosher |
| Penta International |
| 3-METHYL-2-BUTENAL NATURAL 10% IN NEOBEE |
| Penta International |
| 3-METHYL-2-BUTENAL |
| Reincke & Fichtner |
| 3-Methyl-2-butenal |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 3-Methylcrotonaldehyde |
| Sigma-Aldrich |
| 3-Methyl-2-butenal, ≥97%, FG |
| Certified Food Grade Products |
| Synerzine |
| 3-METHYL-2-BUTENAL, RE-DISTILLED |
| Synerzine |
| 3-Methyl-2-butenal |
| TCI AMERICA |
| For experimental / research use only. |
| 3-Methyl-2-butenal >97.0%(GC) |
| WholeChem |
| 3-Methyl-2-butenal |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
|
R 10 - Flammable. R 22 - Harmful if swallowed. R 37/38 - Irritating to respiratory system and skin. R 41 - Risk of serious damage to eyes. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. 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: | |
| Not determined | |
| 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 3-methyl-2-butenal usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.30 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.50 (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| 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: 12 | |||
| Click here to view publication 12 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 7.50000 | |
| beverages(nonalcoholic): | - | 2.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 50.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 7.25000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 3.75000 | |
| fruit ices: | - | 3.75000 | |
| gelatins / puddings: | - | 5.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 12.50000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 5.00000 | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 7.25000 | |
| 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): | |
| Flavouring Group Evaluation 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008) View page or View pdf | |
| Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009) View page or View pdf | |
| Flavouring Group Evaluation 202: 3-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.3 of FGE.19[1] View page or View pdf | |
| Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 95 (FGE.95): Consideration of aliphatic, linear or branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (69th meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05Rev1 (2008) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 72, Revision 1 (FGE.72Rev1): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids, esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 72, Revision 2 (FGE.72Rev2): consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (61st, 68th and 69th meetings) and structurally related to flavouring substances in FGE.05Rev3 View page or View pdf | |
| EPI System: | View |
| NIOSH International Chemical Safety Cards: | search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 107-86-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 61020 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1989 |
| WGK Germany: | 2 |
| 3-methylbut-2-enal | |
| Chemidplus: | 0000107868 |
References:
| 3-methylbut-2-enal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 107-86-8 |
| Pubchem (cid): | 61020 |
| Pubchem (sid): | 135018298 |
| 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 |
| CHEBI: | View |
| CHEMBL: | View |
| Metabolomics Database: | Search |
| KEGG (GenomeNet): | C07330 |
| HMDB (The Human Metabolome Database): | HMDB12157 |
| FooDB: | FDB008134 |
| Export Tariff Code: | 2912.19.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| almond | FR | |
| apple | FR | |
| cherry | FR | |
| cinnamon | FR | |
| spice | FR |
Occurrence (nature, food, other): note
| bread wheat bread Search PMC Picture | |
| chelyocarpus ulei Search Trop Picture | |
| chicken fat Search PMC Picture | |
| cognac Search PMC Picture | |
| currant black currant fruit Search Trop Picture | |
| geonoma polyandra Search Trop Picture | |
| ginger Search Trop Picture | |
| ginger lily white ginger lily Search Trop Picture | |
| hop oil Search Trop Picture | |
| moriche palm Search Trop Picture | |
| potato baked potato Search Trop Picture | |
| raspberry red raspberry fruit Search Trop Picture | |
| tea rooibos tea Search Trop Picture | |
| wettinia maynensis Search Trop Picture |
Synonyms:
| 2- | butenal, 3-methyl- |
| crotonaldehyde, 3-methyl- | |
| 3,3- | dimethyl acryl aldehyde |
| 3,3- | dimethyl-acrylaldehyde |
| 3,3- | dimethylacrolein |
| b,b- | dimethylacrolein |
| 3,3- | dimethylacrylaldehyde |
| 3- | methyl crotonaldehyde |
| 3- | methyl-2-buten-1-al |
| 3- | methyl-2-butenal |
| 3- | methyl-2-crotonaldehyde |
| 3- | methylbut-2-enal |
| 3- | methylcrotonaldehyde |
| b- | methylcrotonaldehyde |
| 2-iso | pentenal |
| prenal | |
| senecialdehyde | |
| senecioaldehyde |