Articles:
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prop-2-enyl (E)-but-2-enoate
Notes:
Found in roasted filberts (Corylus avellana)
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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): 20474-93-5 Allyl Crotonate
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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): 01-17850 ALLYL CROTONATE
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| CAS Number: | 20474-93-5 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 243-845-2 | |
| FDA UNII: | QK441L7HUM | |
| Nikkaji Web: | J100.582K | |
| MDL: | MFCD00026990 | |
| CoE Number: | 2222 | |
| XlogP3-AA: | 1.60 (est) | |
| Molecular Weight: | 126.15510000 | |
| Formula: | C7 H10 O2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 5453-44-1 |  3D/inchi
|
| XlogP3-AA: | 1.60 (est) | |
| Molecular Weight: | 126.15510000 | |
| Formula: | C7 H10 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavoring 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 |
| DG SANTE Food Flavourings: | 09.247 allyl crotonate |
| FEMA Number: | 4072 allyl crotonate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 20474-93-5 ; ALLYL CROTONATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.94200 to 0.94700 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.838 to 7.880 |
| Refractive Index: | 1.44000 to 1.45000 @ 20.00 °C. |
| Boiling Point: | 63.00 to 65.00 °C. @ 16.00 mm Hg |
| Boiling Point: | 146.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 3.683000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 123.00 °F. TCC ( 50.56 °C. ) |
| logP (o/w): | 2.069 (est) |
| Soluble in: | |
| alcohol | |
| water, 1916 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| isoamyl crotonate | |
| apple crotonate | |
| benzyl crotonate | |
| butyl (E)-2-crotonate | |
| citronellyl crotonate | |
| cyclohexyl crotonate | |
| dimethyl benzyl carbinyl crotonate | |
| ethyl (E)-2-crotonate | |
| ethyl crotonate | |
| fig crotonate | |
| geranyl crotonate | |
| heptyl crotonate | |
| (Z)-3-hexen-1-yl (E)-crotonate | |
| (E)-3-hexen-1-yl crotonate | |
| hexyl (E)-crotonate | |
| octyl crotonate | |
| phenethyl crotonate | |
| 3-phenyl propyl crotonate | |
| plum crotonate | |
| isopropyl (E)-crotonate | |
| propyl crotonate | |
| isopropyl 3-methyl thiocrotonate | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Allyl Crotonate |
| Parchem |
| allyl crotonate |
| Penta International |
| ALLYL CROTONATE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Allyl Crotonate |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Allyl crotonate |
Safety Information:
| Preferred SDS: View | |
| 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: | flavoring agents | ||
| IFRA Purity Specification: | < 0.1% free allyl alcohol | ||
| Recommendation for allyl crotonate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.04 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 2000 (μg/person/day) | ||
| Threshold of Concern: | 540 (μg/person/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: 22 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 10.00000 | 50.00000 | |
| beverages(nonalcoholic): | 5.00000 | 25.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 5.00000 | 25.00000 | |
| cheese: | 7.00000 | 35.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | 5.00000 | 25.00000 | |
| confectionery froastings: | 10.00000 | 50.00000 | |
| egg products: | - | - | |
| fats / oils: | 5.00000 | 25.00000 | |
| fish products: | 2.00000 | 10.00000 | |
| frozen dairy: | 7.00000 | 35.00000 | |
| fruit ices: | 10.00000 | 50.00000 | |
| gelatins / puddings: | 5.00000 | 25.00000 | |
| granulated sugar: | - | - | |
| gravies: | 20.00000 | 100.00000 | |
| hard candy: | - | - | |
| imitation dairy: | 7.00000 | 35.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | 5.00000 | 25.00000 | |
| meat products: | 2.00000 | 10.00000 | |
| milk products: | 7.00000 | 35.00000 | |
| nut products: | - | - | |
| other grains: | 5.00000 | 25.00000 | |
| poultry: | 2.00000 | 10.00000 | |
| processed fruits: | 7.00000 | 35.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 5.00000 | 25.00000 | |
| snack foods: | 10.00000 | 50.00000 | |
| soft candy: | - | - | |
| soups: | 5.00000 | 25.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 5.00000 | 25.00000 | |
| 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/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 5.70000 | 12.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 1.50000 | 14.25000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.90000 | 2.98000 | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 5.00000 | 5.03000 | |
| Confectionery (05.0): | 5.50000 | 14.46000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 4.80000 | 11.55000 | |
| Bakery wares (07.0): | 8.00000 | 19.07000 | |
| Meat and meat products, including poultry and game (08.0): | 0.90000 | 2.98000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.90000 | 2.98000 | |
| Eggs and egg products (10.0): | 0.90000 | 2.98000 | |
| Sweeteners, including honey (11.0): | 0.90000 | 2.98000 | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 2.00000 | 5.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 2.00000 | 4.43000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 1.00000 | 2.00000 | |
| Ready-to-eat savouries (15.0): | 2.50000 | 4.50000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.90000 | 2.98000 | |
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): | |
| EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,ß-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 5, Revision 3 (FGE.05Rev3): Branched- and straight-chain unsaturated aldehydes, dienals, unsaturated and saturated carboxylic acids and related esters with saturated and unsaturated aliphatic alcohols and a phenylacetic acid related ester from chemical groups 1, 2, 3, 5 and 15 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 20474-93-5 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 227240 |
| National Institute of Allergy and Infectious Diseases: | Data |
| prop-2-enyl but-2-enoate | |
| Chemidplus: | 0020474935 |
| prop-2-enyl (E)-but-2-enoate | |
References:
| prop-2-enyl but-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 20474-93-5 |
| Pubchem (cid): | 227240 |
| Pubchem (sid): | 135263315 |
| prop-2-enyl (E)-but-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 5453-44-1 |
| Pubchem (cid): | 5354763 |
| Pubchem (cas): | 5453-44-1 |
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): | HMDB32067 |
| FooDB: | FDB008776 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| filbert roasted filbert Search Trop Picture |
Synonyms:
| allyl (2E)-but-2-enoate | |
| allyl (E)-2-butenoate | |
| allyl 2-butenoate | |
| allyl beta-methyl acrylate | |
| 2- | butenoic acid 2-propenyl ester |
| 2- | butenoic acid, 2-propen-1-yl ester, (2E)- |
| crotonic acid allyl ester | |
| prop-2-enyl (2E)but-2-enoate | |
| prop-2-enyl (E)-but-2-enoate | |
| prop-2-enyl but-2-enoate | |
| 2- | propen-1-yl 2-butenoate |
| 2- | propenyl 2-butenoate |