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allyl acetate
2-propenyl acetate

Supplier Sponsors

CAS Number: 591-87-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-734-8
FDA UNII: E4U5E5990I
Nikkaji Web:J35.906H
Beilstein Number:1742050
MDL:MFCD00008721
CoE Number:11730
XlogP3:1.00 (est)
Molecular Weight:100.11716000
Formula:C5 H8 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.92300 to 0.93300 @ 20.00 °C.
Pounds per Gallon - (est).: 7.689 to 7.773
Melting Point: 6.00 °C. @ 760.00 mm Hg
Boiling Point: 103.00 to 105.00 °C. @ 760.00 mm Hg
Vapor Pressure:27.200000 mmHg @ 20.00 °C.
Flash Point: 44.00 °F. TCC ( 6.67 °C. )
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:
None found
 
Suppliers:
EMD Millipore
For experimental / research use only.
Allyl Acetate
K.L. Koh Enterprise
ALLYL ACETATE
OQEMA
Allyl Acetate
Penta International
ALLYL ACETATE
Sigma-Aldrich: Aldrich
For experimental / research use only.
Allyl acetate 99%
TCI AMERICA
For experimental / research use only.
Allyl Acetate >98.0%(GC)
 
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.
 
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-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.

Dermal Toxicity:
skin-rabbit LD50 1021 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.

Inhalation Toxicity:
inhalation-rat LC50 1000 ppm/1H
AMA Archives of Industrial Health. Vol. 21, Pg. 28, 1960.

 
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.
 
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):591-87-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11584
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2333
WGK Germany:3
prop-2-enyl acetate
Chemidplus:0000591877
EPA/NOAA CAMEO:hazardous materials
RTECS:AF1750000 for cas# 591-87-7
 
References:
 prop-2-enyl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:591-87-7
Pubchem (cid):11584
Pubchem (sid):134977466
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.39.4550
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
FLarrack
FRpineapple
FLrum
 
Occurrence (nature, food, other):note
 found in nature
 
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 -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 -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 (-)--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 - 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:FeCl36H2O, a catalyst for the diastereoselective synthesis of cis-isoxazolidines from N-protected -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
 
Notes:
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