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Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 95.00 to 100.00
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| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.92300 to 0.93300 @ 20.00 °C.
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| Pounds per Gallon - (est).: | 7.689 to 7.773
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| Melting Point: | 6.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 103.00 to 105.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 27.200000 mmHg @ 20.00 °C. |
| Flash Point: | 44.00 °F. TCC ( 6.67 °C. )
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| logP (o/w): | 0.970 |
| Soluble in: |
| | alcohol | | | water, 2.80E+04 mg/L @ 20 °C (exp) |
| Insoluble in: |
| | water |
| Similar Items:note |
| 2-acetoxypropene |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | T - Toxic. |
R 11 - Highly flammable.
R 21 - Harmful in contact with skin.
R 23/25 - Toxic by inhalation and if swallowed.
R 36 - Irritating to eyes.
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 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.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
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| Hazards identification |
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| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
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| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
oral-mouse LD50 170 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
oral-rat LD50 130 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.
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| Dermal Toxicity: |
skin-rabbit LD50 1021 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.
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| Inhalation Toxicity: |
inhalation-rat LC50 1000 ppm/1H
AMA Archives of Industrial Health. Vol. 21, Pg. 28, 1960.
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Safety in Use Information:
| Category: | | flavoring agents |
| IFRA Purity Specification: | < 0.1% free allyl alcohol |
| Recommendation for allyl acetate usage levels up to: | | | not for fragrance use.
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Safety References:
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| | acetic acid 2-propen-1-yl ester | | | acetic acid 2-propenyl ester | | | acetic acid allyl ester | | | acetic acid prop-2-enyl ester | | | acetic acid, 2-propen-1-yl ester | | 3- | acetoxy-1-propene | | 3- | acetoxypropene | | | prop-2-en-1-yl acetate | | | prop-2-enyl acetate | | | prop-2-enyl ethanoate | | 2- | propenyl acetate | | 2- | propenyl ethanoate |
Articles:
| PubMed:Inversion of Enantioselectivity in Allene Gas versus Allyl Acetate Reductive Aldehyde Allylation Guided by Metal-Centered Stereogenicity: An Experimental and Computational Study |
| PubMed:A comparative 90-day toxicity study of allyl acetate, allyl alcohol and acrolein |
| PubMed:Enantioselective Iridium-Catalyzed Allylation of Acetylenic Ketones via 2-Propanol-Mediated Reductive Coupling of Allyl Acetate: C14-C23 of Pladienolide?D |
| PubMed:Facile Preparation of (2Z,4E)-Dienamides by the Olefination of Electron-deficient Alkenes with Allyl Acetate |
| PubMed:Asymmetric Allylation of Glycidols Mediated by Allyl Acetate via Iridium-Catalyzed Hydrogen Transfer |
| PubMed:Gas-Phase Oxidation of Allyl Acetate by O(3), OH, Cl, and NO(3): Reaction Kinetics and Mechanism |
| PubMed:NTP Technical Report on the comparative toxicity studies of allyl acetate (CAS No. 591-87-7), allyl alcohol (CAS No. 107-18-6) and acrolein (CAS No. 107-02-8) administered by gavage to |
| PubMed:Olefination of Electron-Deficient Alkenes with Allyl Acetate: Stereo- and Regioselective Access to (2Z,4E)-Dienamides |
| PubMed:Allyl 2-(2,2-dimethyl-3a,6a-di-hydro-furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl-ate |
| PubMed:Sensory irritation and pulmonary irritation by airborne allyl acetate, allyl alcohol, and allyl ether compared to acrolein |
| PubMed:Atmospheric oxidation of vinyl and allyl acetate: product distribution and mechanisms of the OH-initiated degradation in the presence and absence of NO(x) |
| PubMed:A category approach to predicting the repeated-dose hepatotoxicity of allyl esters |
| PubMed:Decarboxylative-coupling of allyl acetate catalyzed by group 10 organometallics, [(phen)M(CH3)]+ |
| PubMed:Effectiveness of allyl acetate as a fumigant against five stored grain beetle pests |
| PubMed:Enantioselective iridium-catalyzed carbonyl allylation from the alcohol or aldehyde oxidation level via transfer hydrogenative coupling of allyl acetate: departure from chirally modifie |
| PubMed:Stereochemistry of ring-opening/cross metathesis reactions of exo- and endo-7-oxabicyclo[2.2.1]hept-5-ene-2-carbonitriles with allyl alcohol and allyl acetate |
| PubMed:Allylation of alcohols and carboxylic acids with allyl acetate catalyzed by [Ir(cod)2](+)BF4- complex |
| PubMed:Biosynthesis of mercapturic acids from allyl alcohol, allyl esters and acrolein |
| PubMed:Rapid assembly of functionalised spirocyclic indolines by palladium-catalysed dearomatising diallylation of indoles with allyl acetate |
| PubMed:Solvent-Controlled, Tunable ?-OAc and ?-H Elimination in Rh(III)-Catalyzed Allyl Acetate and Aryl Amide Coupling via C-H Activation |
| PubMed:Pd-Catalyzed Direct C-H Alkenylation and Allylation of Azine N-Oxides |
| PubMed:Coordination-insertion copolymerization of allyl monomers with ethylene |
| PubMed:Enantioselective iridium-catalyzed carbonyl allylation from the alcohol or aldehyde oxidation level using allyl acetate as an allyl metal surrogate |
| PubMed:Carbonyl and ester C-O bond hydrosilylation using ?(4)-diimine nickel catalysts |
| PubMed:Stereoselectively synthesis and structural confirmation of dehydrodipeptides with dehydrobutyrine |
| PubMed:Pentacoordinated carboxylate ã-allyl nickel complexes as key intermediates for the Ni-catalyzed direct amination of allylic alcohols |
| PubMed:Regio- and Enantioselective Iridium-Catalyzed N-Allylation of Indoles and Related Azoles with Racemic Branched Alkyl-Substituted Allylic Acetates |
| PubMed:Protecting-group-free diastereoselective C-C coupling of 1,3-glycols and allyl acetate through site-selective primary alcohol dehydrogenation |
| PubMed:Amphiphilic ã-Allyliridium C,O-Benzoates Enable Regio- and Enantioselective Amination of Branched Allylic Acetates Bearing Linear Alkyl Groups |
| PubMed:Palladium-catalyzed coupling of haloalkynes with allyl acetate: a regio- and stereoselective synthesis of (Z)-?-haloenol acetates |
| PubMed:Direct Synthesis and Bonding Properties of the First ?(2)-?(2),?(2)-Allyl-Bridged Diiridium Complex |
| PubMed:anti-Diastereo- and enantioselective carbonyl crotylation from the alcohol or aldehyde oxidation level employing a cyclometallated iridium catalyst: alpha-methyl allyl acetate as a surr |
| PubMed:Regio- and Enantioselective Iridium-Catalyzed Amination of Racemic Branched Alkyl-Substituted Allylic Acetates with Primary and Secondary Aromatic and Heteroaromatic Amines |
| PubMed:Vinylidenation of Organoboronic Esters Enabled by a Pd-Catalyzed Metallate Shift |
| PubMed:Characterization of an Endophytic Gloeosporium sp. and Its Novel Bioactivity with "Synergistans" |
| PubMed:Raising the Diversity of Ugi Reactions Through Selective Alkylations and Allylations of Ugi Adducts |
| PubMed:Catalytic Enantioselective Synthesis of N-C Axially Chiral Sulfonamides through Chiral Palladium-Catalyzed N-Allylation |
| PubMed:Catalytic, nucleophilic allylation of aldehydes with allyl acetate |
| PubMed:Asymmetric organocatalysis combined with metal catalysis: concept, proof of concept, and beyond |
| PubMed:Synthesis of the C(1)-C(13) Fragment of Leiodermatolide via Hydrogen-Mediated C-C Bond Formation |
| PubMed:Preparation of sigma- and pi-allylcopper(III) intermediates in SN2 and SN2' reactions of organocuprate(I) reagents with allylic substrates |
| PubMed:Rhodium-catalyzed reductive allylation of conjugated aldehydes with allyl acetate |
| PubMed:Asymmetric palladium-catalyzed umpolung cyclization of allylic acetate-aldehyde using formate as a reductant |
| PubMed:Letter: Silver mediated ester bond formation in the gas phase: substrate structure is important |
| PubMed:O(2)-Promoted Allylic Acetoxylation of Alkenes: Assessment of "Push" vs. "Pull" Mechanisms and Comparison between O(2) and Benzoquinone |
| PubMed:Synthesis of (-)-à-kainic acid via TMSCl-promoted Pd-catalyzed zinc-ene cyclization of an allyl acetate |
| PubMed:Kinetic and mechanistic study of the atmospheric oxidation by OH radicals of allyl acetate |
| PubMed:Palladium pincer complex catalyzed substitution of vinyl cyclopropanes, vinyl aziridines, and allyl acetates with tetrahydroxydiboron. An efficient route to functionalized allylboronic |
| PubMed:A unified strategy targeting the thiodiketopiperazine mycotoxins exserohilone, gliotoxin, the epicoccins, the epicorazines, rostratin?A and aranotin |
| PubMed:Direct generation of acyclic polypropionate stereopolyads via double diastereo- and enantioselective iridium-catalyzed crotylation of 1,3-diols: beyond stepwise carbonyl addition in pol |
| PubMed:Diastereo- and enantioselective anti-alkoxyallylation employing allylic gem-dicarboxylates as allyl donors via iridium-catalyzed transfer hydrogenation |
| PubMed:Platinum-Catalyzed Allylation of 2,3-Disubstituted Indoles with Allylic Acetates |
| PubMed:Synthesis of clarithromycin ketolides chemically modified at the unreactive C10-methyl group |
| PubMed:Synthesis and structure of preorganized, C(3)-symmetric trilactam scaffolds with convergently oriented (S)-acetylthiomethyl appendages |
| PubMed:Tyrosine-selective protein alkylation using pi-allylpalladium complexes |
| PubMed:A comparison of lipase-catalyzed ester hydrolysis in reverse micelles, organic solvents, and biphasic systems |
| PubMed:Solvent-controlled highly selective bis- and monoallylation of active methylene compounds by allyl acetate with palladium(0) nanoparticle |
| PubMed:Novel organophosphorus scaffolds of urease inhibitors obtained by substitution of Morita-Baylis-Hillman adducts with phosphorus nucleophiles |
| PubMed:Bio-inspired formal synthesis of hirsutellones A-C featuring an electrophilic cyclization triggered by remote Lewis acid-activation |
| PubMed:Heck reactions of steroidal alkenyl iodides |
| PubMed:Side-chain modification and "grafting onto" via olefin cross-metathesis |
| PubMed:Iridium Catalyzed Hydro-hydroxyalkylation of Butadiene: Carbonyl Crotylation |
| PubMed:Stereoselective synthesis of pyroglutamate natural product analogs from à- aminoacids and their anti-cancer evaluation |
| PubMed:Design of bifunctional chiral phenanthroline ligand with Lewis basic site for palladium-catalyzed asymmetric allylic substitution |
| PubMed:Oxidant-free Rh(III)-catalyzed direct C-H olefination of arenes with allyl acetates |
| PubMed:Efficient epoxidation of electron-deficient alkenes with hydrogen peroxide catalyzed by [?-PW10O38V2(?-OH)2]3- |
| PubMed:Synthesis and C2-functionalization of indoles with allylic acetates under rhodium catalysis |
| PubMed:Synthesis of fluorinated telechelic diols based on 3,3,3-trifluoropropene as precursors of well-defined fluoropolymers |
| PubMed:Dual-function Pd/NHC catalysis: tandem allylation-isomerization-conjugate addition that allows access to pyrroles, thiophenes and furans |
| PubMed:Rhodium-catalyzed redox allylation reactions of ketones |
| PubMed:Palladium-catalyzed chemoselective allylic substitution, Suzuki-Miyaura cross-coupling, and allene formation of bifunctional 2-B(pin)-substituted allylic acetate derivatives |
| PubMed:Enhanced anti-diastereo- and enantioselectivity in alcohol-mediated carbonyl crotylation using an isolable single component iridium catalyst |
| PubMed:Ruthenium-Catalyzed Oxidant-Free Allylation of Aromatic Ketoximes with Allylic Acetates at Room Temperature |
| PubMed:A concise synthetic approach to brazilin via Pd-catalyzed allylic arylation |
| PubMed:The Cl-initiated oxidation of CH(3)C(O)OCH=CH (2), CH (3)C(O)OCH (2)CH=CH (2), and CH (2)=CHC(O)O(CH (2)) (3)CH (3) in the troposphere |
| PubMed:Enantioselective construction of pyrrolidines by palladium-catalyzed asymmetric [3 + 2] cycloaddition of trimethylenemethane with imines |
| PubMed:Enantioselective allylation, crotylation, and reverse prenylation of substituted isatins: iridium-catalyzed C-C bond-forming transfer hydrogenation |
| PubMed:Diastereo- and Enantioselective Iridium Catalyzed Coupling of Vinyl Aziridines with Alcohols: Site-Selective Modification of Unprotected Diols and Synthesis of Substituted Piperidines |
| PubMed:Enantioselective construction of highly substituted pyrrolidines by palladium-catalyzed asymmetric [3+2] cycloaddition of trimethylenemethane with ketimines |
| PubMed:Palladium(0)/indium iodide-mediated allylations of electrophiles generated from the hydrolysis of Eschenmoser's salt: One-pot preparation of diverse carbocyclic scaffolds |
| PubMed:Stereodivergent and regioselective synthesis of 3,4-cis- and 3,4-trans-pyrrolidinediols from alpha-amino acids |
| PubMed:Palladium nanoparticle-catalyzed C-N bond formation. A highly regio- and stereoselective allylic amination by allyl acetates |
| PubMed:Rhodium(iii)-catalyzed C-H allylation of electron-deficient alkenes with allyl acetates |
| PubMed:TIMES-SS--a mechanistic evaluation of an external validation study using reaction chemistry principles |
| PubMed:Tetrazole synthesis via the palladium-catalyzed three component coupling reaction |
| PubMed:Vinylogous Nicholas reactions in the synthesis of bi- and tricyclic cycloheptynedicobalt complexes |
| PubMed:Development of an asymmetric trimethylenemethane cycloaddition reaction: application in the enantioselective synthesis of highly substituted carbocycles |
| PubMed:anti-Diastereo- and enantioselective carbonyl (hydroxymethyl)allylation from the alcohol or aldehyde oxidation level: allyl carbonates as allylmetal surrogates |
| PubMed:Enantioselective carbonyl reverse prenylation from the alcohol or aldehyde oxidation level employing 1,1-dimethylallene as the prenyl donor |
| PubMed:Iridium-catalyzed anti-diastereo- and enantioselective carbonyl (trimethylsilyl)allylation from the alcohol or aldehyde oxidation level |
| PubMed:Catalytic sp(3) -sp(3) Functionalisation of Sulfonamides: Late-Stage Modification of Drug-Like Molecules |
| PubMed:Selective cross-coupling of organic halides with allylic acetates |
| PubMed:The tert-butyl dimethyl silyl group as an enhancer of drug cytotoxicity against human tumor cells |
| PubMed:Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates |
| PubMed:Enantioselective carbonyl allylation, crotylation, and tert-prenylation of furan methanols and furfurals via iridium-catalyzed transfer hydrogenation |
| PubMed:Solid-Phase Synthesis of Tyrosine Peptide Aldehydes. Analogues of (S)-MAPI |
| PubMed:Gas-Phase and Computational Study of Identical Nickel- and Palladium-Mediated Organic Transformations Where Mechanisms Proceeding via M(II) or M(IV) Oxidation States Are Determined by A |
| PubMed:Toward Continuous-Flow Hyperpolarisation of Metabolites via Heterogenous Catalysis, Side-Arm-Hydrogenation, and Membrane Dissolution of Parahydrogen |
| PubMed:Use of (S)-trans-gamma-monocyclofarnesol as a useful chiral building block for the stereoselective synthesis of diterpenic natural products |
| PubMed:Deacylative allylation: allylic alkylation via retro-Claisen activation |
| PubMed:An electrochemical coupling of organic halide with aldehydes, catalytic in chromium and nickel salts. the Nozaki-Hiyama-Kishi reaction |
| PubMed:Iridium-catalyzed allylation of chiral ?-stereogenic alcohols: bypassing discrete formation of epimerizable aldehydes |
| PubMed:Building addressable libraries: site-selective Suzuki reactions on microelectrode arrays |
| PubMed:Catalytic Enantioselective and Diastereoselective Allylic Alkylation with Fluoroenolates: Efficient Access to C3-Fluorinated and All-Carbon Quaternary Oxindoles |
| PubMed:Pd(II)-catalyzed highly selective arylation of allyl esters via C-H functionalization of unreactive arenes with retention of the traditional leaving group |
| PubMed:A solid support with a hydroxyallyl linker, full parts of which are potentially reusable for the synthesis of oligonucleotides |
| PubMed:FeCl3ú6H2O, a catalyst for the diastereoselective synthesis of cis-isoxazolidines from N-protected ë-hydroxylamino allylic acetates |
| PubMed:Iron-catalyzed electrochemical allylation of carbonyl compounds by allylic acetates |
| PubMed:Achieving chemo-, regio-, and stereoselectivity in palladium-catalyzed reaction of ?-borylated allylic acetates |
| PubMed:Beta-alkyl-alpha-allylation of Michael acceptors through the palladium-catalyzed three-component coupling between allylic substrates, trialkylboranes, and activated olefins |
| PubMed:Efficient synthesis of the structural core of tetracyclines by a palladium-catalyzed domino Tsuji-Trost-Heck-Mizoroki reaction |
| PubMed:Nickel-catalyzed, sodium iodide-promoted reductive dimerization of alkyl halides, alkyl pseudohalides, and allylic acetates |
| PubMed:Modular synthesis of a new family of tripodal ligands, all-cis-1,2,3-tris(diphenylphosphinomethyl)cyclopropane and relatives |
| PubMed:Ruthenium-catalyzed intramolecular oxidative amination of aminoalkenes enables rapid synthesis of cyclic imines |
| PubMed:Highly enantioselective Cu-catalyzed conjugate addition-elimination of activated allylic acetates with glycine derivatives |
| PubMed:Stereoselective Synthesis of 2'-Amino-2',3'-dideoxynucleosides by Nitrone 1,3-Dipolar Cycloaddition: A New Efficient Entry Toward d4T and Its 2-Methyl Analogue |
| PubMed:Antitumour polycyclic acridines. Palladium(0) mediated syntheses of quino[4,3,2-kl]acridines bearing peripheral substituents as potential telomere maintenance inhibitors |
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3D/inchi