allyl crotonate
prop-2-enyl (E)-but-2-enoate

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  BOC Sciences

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  CODE103869 CODE103869
  Product(s):
  20474-93-5 Allyl Crotonate

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  Penta International Corporation

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  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.
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  Product(s):
  01-17850 ALLYL CROTONATE

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, Edge or firefox) CAS Number: 5453-44-1 3D/inchi FDA UNII: Search XlogP3-AA: 1.60 (est) Molecular Weight: 126.15510000 Formula: C7 H10 O2 NMR Predictor: Predict (works with chrome, Edge 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 sds   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 (05.3): - - 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   Articles:   None found yet. Try the PubMed Search.

Notes: Found in roasted filberts (Corylus avellana)