| Identification | More | [Name]
Allyl acetate | [CAS]
591-87-7 | [Synonyms]
2-Propenyl ethanoate
3-Acetoxypropene
ACETIC ACID ALLYL ESTER
ALLYL ACETATE
PROPENYL ACETATE
2-Propenyl acetate
2-Propenyl ester of acetic acid
2-propenylmethanoate
3-acetoxy-1-propene
acetated’allyle
Aceticacid,2-propenylester
aceticacidprop-2-enylester
CH2=C(CH3)OC(=O)CH3
AllylAcetate99%
ALLYL ACETATE EP (ACETIC ACID ALLYL ESTER)
2-Propen-1-ol acetate | [EINECS(EC#)]
209-734-8 | [Molecular Formula]
C5H8O2 | [MDL Number]
MFCD00008721 | [Molecular Weight]
100.12 | [MOL File]
591-87-7.mol |
| Chemical Properties | Back Directory | [Appearance]
Allyl acetate is a flammable, colorless liquid with an acrid odor. | [Melting point ]
6°C | [Boiling point ]
103-104 °C (lit.) | [density ]
0.928 g/mL at 25 °C(lit.)
| [vapor pressure ]
27.2 hPa (20 °C) | [refractive index ]
n20/D 1.404(lit.)
| [Fp ]
44 °F
| [storage temp. ]
Refrigerator (+4°C) + Flammables area | [solubility ]
28g/l | [form ]
Liquid | [color ]
Clear colorless | [Specific Gravity]
0.928 | [explosive limit]
2.1-13.0%(V) | [Water Solubility ]
slightly | [Specific Heat Capacity]
Cp(liquid):184.1J/(g·K),at 25℃ | [Merck ]
14,285 | [BRN ]
1742050 | [Henry's Law Constant]
7.6×10-2 mol/(m3Pa) at 25℃, HSDB (2015) | [InChI]
1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3 | [InChIKey]
FWZUNOYOVVKUNF-UHFFFAOYSA-N | [SMILES]
CC(=O)OCC=C | [LogP]
0.970 | [CAS DataBase Reference]
591-87-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Acetic acid, 2-propenyl ester(591-87-7) | [EPA Substance Registry System]
591-87-7(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS06 | [Signal word ]
Danger | [Hazard statements ]
H225-H301-H312-H319-H330 | [Precautionary statements ]
P210-P280-P301+P310+P330-P302+P352+P312-P304+P340+P310-P305+P351+P338 | [Hazard Codes ]
F,T | [Risk Statements ]
R11:Highly Flammable.
R21:Harmful in contact with skin.
R23/25:Toxic by inhalation and if swallowed .
R36:Irritating to the eyes.
R25:Toxic if swallowed. | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S27:Take off immediately all contaminated clothing . | [RIDADR ]
UN 2333 3/PG 2
| [WGK Germany ]
3
| [RTECS ]
AF1750000
| [Autoignition Temperature]
705 °F | [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
II | [HS Code ]
29153990 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 2 Inhalation
Acute Tox. 3 Oral
Acute Tox. 4 Dermal
Eye Irrit. 2
Flam. Liq. 2 | [Safety Profile]
Poison by ingestion. Moderately toxic by inhalation and skin contact. A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes. Dangerous fire hazard. See also ALLYL COMPOUNDS | [Hazardous Substances Data]
591-87-7(Hazardous Substances Data) | [Toxicity]
LD50: 0.13 g/kg orally in rats; 1.1 ml/kg dermally in rabbits (Smyth); LD50 in rats, mice (mg/kg): 142, 170 orally (Jenner) |
| Hazard Information | Back Directory | [General Description]
A liquid. Insoluble in water and slightly less dense than water. Hence floats on water. Flash point below 75°F. Poisonous by ingestion and moderately toxic by inhalation and skin contact. Irritating to skin and eyes. | [Reactivity Profile]
ALLYL ACETATE(591-87-7) is an ester. Reacts with acids to liberate heat along with alcohols and acids. Generates heat with strong oxidizing acids. The reaction may be sufficiently exothermic to ignite the reaction products. Also generates heat with basic solutions. Generates flammable hydrogen with alkali metals and hydrides. Emits acrid smoke and irritating fumes when heated to decomposition. | [Air & Water Reactions]
Highly flammable. Insoluble in water. | [Hazard]
Skin and eye irritant; poisonous.
| [Health Hazard]
TOXIC; may be fatal if inhaled, ingested or absorbed through skin. Inhalation or contact with some of these materials will irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. | [Potential Exposure]
Allyl Acetate is used to control insects in homes and animal shelters, and to treat lice in humans. May be used to enhance taste of dairy products and fruit. Generally speaking, most allyl compounds may be metabolized to allyl alcohol (see A:0540) which is metabolized to acrolein (see A:0380). | [Fire Hazard]
HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion and poison hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. | [First aid]
If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.Medical observation is recommended for 24 to 48 hours after breathing overexposure, as pulmonary edema may be delayed | [Shipping]
UN2333 Allyl acetate, Hazard Class: 3; Labels: 3-Flammable liquid, 6.1-Poisonous materials | [Incompatibilities]
Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides. Incompatible with strong acids (liberates heat), nitrates, strong alkalis (liberates heat). Contact with alkali metals and strong reducing agents such as hydrides evolves highly flammable hydrogen gas. Attacks some plastics, coatings, and rubber. Flow or agitation of substance may generate electrostatic charges due to low conductivity; ground all equipment containing this material | [Chemical Properties]
Allyl acetate is a flammable, colorless liquid with an acrid odor. | [Waste Disposal]
Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed. | [Uses]
Ally acetate is used in industrial intermediate. Used in synthesis of colophony and bond. | [Uses]
Ally acetate is used in nonalcoholic beverages at 1 ppm,
ice cream and ices at 2 ppm, candy at 5 ppm, baked goods at
5 ppm, and margarine at 2 ppm. | [Production Methods]
Allyl acetate is produced by the following methods: decarboxylation
of allylmalonic acid with heat, boiling ethyl 4-
chloro-N-valerate in quinoline, and acetoxylation of
propylene.
Allyl acetate is produced primarily for manufacturing allyl
alcohol. It is also used as a synthetic flavoring for
cheese, butter, and fruit. | [Solubility in organics]
Insoluble in water, miscible with alcohol, essential oils, perfume and flavor chemicals.
| [Purification Methods]
The ester is freed from peroxides by standing with crystalline ferrous ammonium sulfate, then washed with 5% NaHCO3, followed by saturated CaCl2 solution. Dry it with Na2SO4 and fractionally distil it in an all-glass apparatus. FLAMMABLE LIQUID. [Beilstein 2 H 136, 2 IV 180.] |
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