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allyl acetate
2-propenyl acetate

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CAS Number: 591-87-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-734-8
Nikkaji Web:J35.906H
Beilstein Number:1742050
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:
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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:
 water, 2.80E+04 mg/L @ 20 °C (exp)
Insoluble in:
Similar Items:note
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
EMD Millipore
For experimental / research use only.
Allyl Acetate
K.L. Koh Enterprise
Allyl Acetate
Penta International
Sigma-Aldrich: Aldrich
For experimental / research use only.
Allyl acetate 99%
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-mouse LD50 170 mg/kg
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:
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
WGK Germany:3
prop-2-enyl acetate
EPA/NOAA CAMEO:hazardous materials
RTECS:AF1750000 for cas# 591-87-7
 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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.39.4550
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
Occurrence (nature, food, other):note
 found in nature
 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
 prop-2-en-1-yl acetate
 prop-2-enyl acetate
 prop-2-enyl ethanoate
2-propenyl acetate
2-propenyl ethanoate


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
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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
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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
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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
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PubMed:TIMES-SS--a mechanistic evaluation of an external validation study using reaction chemistry principles
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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
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PubMed:Iron-catalyzed electrochemical allylation of carbonyl compounds by allylic acetates
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None found
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