ChemicalBook > Product Catalog > Flavors and fragrances > Synthetic fragrances > Carboxylic acids and esters > Aliphatic dicarboxylic acid esters > Propyl acetate
Propyl acetate Chemical Properties
- Melting point:-95 °C (lit.)
- Boiling point:102 °C (lit.)
- Density 0.888 g/mL at 25 °C (lit.)
- vapor density 3.5 (vs air)
- vapor pressure 25 mm Hg ( 20 °C)
- refractive index n
- FEMA 2925 | PROPYL ACETATE
- Flash point:55 °F
- storage temp. Store below +30°C.
- solubility water: soluble
- form Liquid
- color APHA: ≤15
- Specific Gravity0.889 (20/4℃)
- OdorMild fruity.
- explosive limit1.7%, 37°F
- Odor Threshold0.24ppm
- Water Solubility 2g/100 mL (20 ºC)
- Merck 14,7841
- JECFA Number126
- BRN 1740764
- Henry's Law Constant5.54 at 37 °C (static headspace-GC, van Ruth et al., 2001)
- Exposure limitsTLV-TWA 200 ppm (～840 mg/m3) (ACGIH, MSHA, and OSHA); TLV-STEL 250 ppm (～1050 mg/m3) (ACGIH); IDLH 8000 ppm (NIOSH).
- Stability:Stable. Highly flammable. May react violently with oxidizing agents. May form explosive mixtures with air. Incompatible with strong oxidizing agents, acids, bases.
- CAS DataBase Reference109-60-4(CAS DataBase Reference)
- NIST Chemistry Referencen-Propyl acetate(109-60-4)
- EPA Substance Registry SystemPropyl acetate (109-60-4)
- Hazard Codes F,Xi
- Risk Statements 11-36-66-67
- Safety Statements 16-26-29-33
- RIDADR UN 1276 3/PG 2
- WGK Germany 1
- RTECS AJ3675000
- Autoignition Temperature842 °F
- Hazard Note Irritant/Highly Flammable
- TSCA Yes
- HS Code 2915 39 00
- HazardClass 3
- PackingGroup II
- Hazardous Substances Data109-60-4(Hazardous Substances Data)
- ToxicityLD50 in rats, mice (mg/kg): 9370, 8300 orally (Jenner)
Propyl acetate Usage And Synthesis
- DescriptionPropyl acetate, also known as propyl ethanoate, is an organic compound with a molecular formula of C5H10O2. It is a clear and colourless liquid with with a mild fruity odor. It is highly flammable with a flash point of 14°C and a flammability rating of 3. It is highly miscible with all common organic solvents (alcohols, ketones, glycols, esters) but has only slight miscibility in water. Propyl acetate is found in apple and formed by the esterification of acetic acid and 1-propanol (known as acondensation reaction), often via Fischer–Speier esterification, with sulfuric acid as a catalyst and water produced as a byproduct. It is primarily intended as a solvent in the coatings and printing inks industries. It is widely used in fragrances and as a flavor additive due to its odor. It also acts as a good solvent for cellulose nitrate, acrylates, alkyd resins, rosin, plasticizers, waxes, oils and fats.
- Chemical PropertiesPropyl acetate has a fruity (pear–raspberry) odor with a pleasant, bittersweet flavor reminiscent of pear on dilution.
- Chemical Propertiescolourless liquid with a strong odour
- Chemical Propertiesn-Propyl acetate is a colorless liquid with a mild, fruity odor. The Odor Threshold is 70 milligram per cubic meter and 2.8 milligram per cubic meter (New Jersey Fact Sheet).
- Physical propertiesClear, colorless, flammable liquid with a pleasant, pear-like odor. Experimentally determined detection and recognition odor threshold concentrations were 200 μg/m3 (48 ppbv) and 600 μg/m3 (140 ppbv), respectively (Hellman and Small, 1974). An odor threshold concentration of 240 ppbv was determined by a triangular odor bag method (Nagata and Takeuchi, 1990). Cometto-Mu?iz and Cain (1991) reported an average nasal pungency threshold concentration of 17,575 ppmv.
- OccurrenceReported found in apple, apple juice, apricot, banana, black currants, guava, grapes, melon, peach, pears, pineapple, plum, strawberry, tomato, vinegar, wheat and rye bread, feta cheese, Gruyere cheese, domiati cheese, yogurt, beef fat, beer, cognac, bourbon and malt whiskey, cider, grape wines, cocoa, potato chips, honey, passion fruit, starfruit, fig, prickly pear, jackfruit, litchi, sake, loquat, mountain papaya, arrack, nectarine and pepino fruit.
- UsesSolvent; in flavoring agents and perfumes.
- Usesn-Propyl acetate is used as a solvent forcellulose derivatives, plastics, and resins;in flavors and perfumes; and in organicsynthesis.
- Uses manufacturing flavors, perfumes. Solvent for resins, cellulose derivatives, plastics.
- DefinitionChEBI: An acetate ester obtained by the formal condensation of acetic acid with propanol.
- Production Methodsn-Propyl acetate is manufactured from acetic acid and a
mixture of propene and propane in the presence of a zinc
chloride catalyst. It is used as a solvent for nitrocellulose-
based lacquers, waxes, polyamide inks, acrylic inks, and
insecticide formulations .
Manufacturers include Eastman Chemical Company, Hoechst Celanese Corporation, and Union Carbide Corporation.
- PreparationBy direct acetylation of propyl alcohol.
- Aroma threshold valuesDetection: 2.7 to 11 ppm. Aroma characteristics at 1.0%: pungent, solventlike ethereal, fruity lift, green banana sweet with an apple and tropical fruit nuance.
- Taste threshold valuesTaste characteristics at 10 to 15 ppm: bubble gum estery, fruity, ethereal, tutti-frutti, banana and honey.
- General DescriptionA clear colorless liquid with a pleasant odor. Flash point 58°F. Less dense than water, Vapors are heavier than air.
- Air & Water ReactionsHighly flammable. Slightly soluble in water.
- Reactivity ProfilePropyl acetate is an ester. Propyl acetate is colorless, highly flammable liquid, moderately toxic. Dangerous fire hazard when exposed to heat, flame, sparks, or strong oxidizers. When heated to decomposition Propyl acetate emits acrid smoke and irritating fumes [Lewis, 3rd ed., 1993, p. 1093].
- HazardFlammable, dangerous fire risk, explosive limits in air 2–8%. Eye and upper respiratory tract irritant.
- Health HazardContact with skin and eyes causes no serious injury. High vapor concentrations will be irritating and will cause nausea, vomiting, and dizziness, with final loss of consciousness.
- Health HazardThe acute toxicity of n-propyl acetate islow in test animals. The toxicity, however,is slightly greater than ethyl acetate andisopropyl acetate. Exposure to its vaporsproduces irritation of the eyes, nose, andthroat and narcotic effects. A 5-hour expo sure to 9000- and 6000-ppm concentrationsproduced narcotic symptoms in cats andmice, respectively (Flury and Wirth 1933).A 4-hour exposure to 8000 ppm was lethalto rats. Ingestion of the liquid can cause narcotic action. A high dose can cause death. Adose of 3000 mg/kg by subcutaneous admin istration was lethal to cats. The liquid maycause mild irritation upon contact with skin
LD50 value, oral (mice): 8300 mg/kg.
- Fire HazardHIGHLY 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 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.
- Chemical ReactivityReactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
- Safety ProfileModerately toxic by intraperitoneal and subcutaneous routes. Mildly toxic by ingestion and inhalation. Human systemic effects by inhalation: lachrymation, cough. A skin irritant. A narcotic at high concentrations. Isopropyl acetate is slightly less narcotic than normal propyl acetate. A flammable liquid and dangerous fire hazard when exposed to heat, flame, or oxidizers. Explosive in the form of vapor when exposed to heat or flame. Can react vigorously with oxidizing materials. To fight fire, use alcohol foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.
- Potential ExposurePropyl acetate is a used as a solvent for plastics and cellulose ester resins; perfume ingredient; component of food flavoring. It is also used as a chemical intermediate.
- Environmental FatePhotolytic. Reported rate constants for the reaction of n-propyl acetate and OH radicals in the
atmosphere and aqueous solution are 2.7 x 10-12 cm3/molecule?sec (Hendry and Kenley, 1979) and
2.30 x 10-13 cm3/molecule?sec (Wallington et al., 1988b).
Chemical/Physical. Slowly hydrolyzes in water forming acetic acid and 1-propanol.
At an influent concentration of 1,000 mg/L, treatment with GAC resulted in an effluent concentration of 248 mg/L. The adsorbability of the carbon used was 149 mg/g carbon (Guisti et al., 1974).
- ShippingUN1276 n-Propyl acetate, Hazard Class: 3; Labels: 3-Flammable liquid.
- Purification MethodsWash the ester with saturated aqueous NaHCO3 until neutral, then with saturated aqueous NaCl. Dry it with MgSO4 and fractionally distil it. [Beilstein 2 IV 138.]
- IncompatibilitiesContact with nitrates, strong oxidizers; strong alkalis; strong acids; may pose risk of fire and explosions. Attacks plastic.
- Waste DisposalDissolve 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.
Propyl acetate Preparation Products And Raw materials
- Methyl acetate Butyl acetate 2-Ethylhexyl acetate Isopropenyl acetate Ethyl acetate 2-Propyl acetate,sec-Propyl acetate,so-Propyl acetate Vinyl acetate METHYL PROPYL ACETATE 2-METHYL-1-PROPYL ACETATE Acetic acid octyl ester Isoamyl acetate Allyl acetate NONYL ACETATE 3-Chloropropyl acetate FEMA 2955 2H-Pyran-4-ol,tetrahydro-4-methyl-2-propyl-,acetate,(2S,4S)-(9CI) 2H-Pyran-4-ol,tetrahydro-4-methyl-2-propyl-,acetate,(2R,4R)-(9CI) S-N-PROPYL THIOACETATE
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