What is the IUPAC name of CH3COOCH2CH2CH3

Propyl acetate product description

  • CAS # 109-60-4
  • Name: propyl acetate
  • English name: Propyl acetate
  • Synonyma: propyl acetate; 1-acetoxypropane; 1-propyl acetate; propyl acetate
    FEMA 2925; octanpropylu; PROPYLACETATE; Octan propylu; PROPYL ACETATE; Acetic acid-n-; n-Propyl acetate; 1-propyl acetate; CH3COOCH2CH2CH3; 1-Propyl acetate
  • CBNumber: CB9148631
  • Molecular formula: C5H10O2
  • Formula Weight: 102.13
  • MOL file: 109-60-4.mol
Propyl acetate physicochemical 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 1,384 (lit.)
  • FEMA: 2925 | PROPYL ACETATE
  • Flash point:: 55 ° F
  • storage temp. : Flammable area
  • Solubility: water: soluble
  • Physical state: liquid
  • Weight: 0.889 (20/4 ℃)
  • Color: APHA: ≤15
  • Odor: Mild fruity.
  • Odor Threshold: 0.24ppm
  • Explosion limit: 1.7%, 37 ° F
  • Water solubility: 2g / 100 mL (20 ºC)
  • JECFA Number: 126
  • Merck: 14.7841
  • BRN: 1740764
  • Henry's Law Constant: 5.54 at 37 ° C (static headspace GC, van Ruth et al., 2001)
  • Exposure limit values: TLV-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: 109-60-4 (CAS DataBase Reference)
  • NIST chemical information: n-Propyl acetate (109-60-4)
  • EPA chemical information: Propyl acetate (109-60-4)
  • Identification of dangerous: F, Xi
  • R-phrases:: 11-36-66-67
  • S-phrases:: 16-26-29-33
  • RIDADR: UN 1276 3 / PG 2
  • WGK Germany: 1
  • RTECS no. : AJ3675000
  • Auto-ignition temperature: 842 ° F
  • Hazard Note: Irritant / Highly Flammable
  • TSCA: Yes
  • HS Code: 2915 39 00
  • HazardClass: 3rd
  • PackingGroup: II
  • Toxic Substances Data: 109-60-4 (Hazardous Substances Data)
  • Toxicity: LD50 in rats, mice (mg / kg): 9370, 8300 orally (Jenner)

Propyl acetate chemical properties, uses, production methods

  • APPEARANCE OF COLORLESS LIQUID, WITH CHARACTERISTIC ODOR.
  • PHYSICAL HAZARDS The vapors mix easily with air. Formation of explosive mixtures.
  • CHEMICAL DANGERS Reacts with strong oxidizing agents, strong bases, strong acids and nitrates causing fire and explosion hazard. Attacks plastic.
  • WORKPLACE LIMITS TLV: 200 ppm (as TWA); 250 ppm (as STEL); (ACGIH 2005).
    MAK: 100 ppm, 420 mg / m? Peak limitation: excursion factor I (2); Pregnancy: group D; (DFG 2005).
  • ROUTES OF DETECTION Absorption into the body by inhalation of the vapors and by ingestion.
  • INHALATION RISK When evaporating at 20 ° C, harmful contamination of the air can quickly occur.
  • EFFECTS OF SHORT-TERM EXPOSUREEFFECTS OF SHORT-TERM EXPOSURE:
    The steam is irritating to the eyes, skin and respiratory tract. Exposure far above the occupational exposure limit values ​​can lead to impaired consciousness.
  • EFFECTS OF REPEATED OR LONG-TERM EXPOSURE The liquid degreases the skin.
  • Leakage ventilation. If possible, collect spilled liquid in sealable containers. Take up residue with sand or inert absorbent and move to a safe place. DO NOT flush into drains. Personal protective equipment: respiratory protection filter for organic gases and vapors.
  • Risk phrases Operating instructions: R11: Highly flammable.
    R 36 irritates the eyes.
    R66: Repeated contact can lead to rough or cracked skin.
    R 67 Vapours may cause drowsiness and dizziness.
  • S-phrases Operating instruction: S16: Keep away from sources of ignition - No smoking.
    S26: In the event of contact with the eyes, rinse immediately and thoroughly with water and consult a doctor.
    S29: Do not allow to enter sewerage system.
    S33: Take precautionary measures against static discharges.
  • Chemical properties colorless liquid with a strong odor
  • Chemical properties n-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).
  • Chemical properties Propyl acetate has a fruity (pear-raspberry) odor with a pleasant, bittersweet flavor reminiscent of pear on dilution.
  • Physical properties Clear, colorless, flammable liquid with a pleasant, pear-like odor. Experimentally determined detection and recognition or 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.
  • Occurrence Reported 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.
  • Use solvent; in flavoring agents and perfumes.
  • Use n-Propyl acetate is used as a solvent for cellulose derivatives, plastics, and resins; in flavors and perfumes; and in organicsynthesis.
  • Use manufacturing flavors, perfumes. Solvent for resins, cellulose derivatives, plastics.
  • Definition ChEBI: An acetate ester obtained by the formal condensation of acetic acid with propanol.
  • Preparation method n-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.
  • synthetic By direct acetylation of propyl alcohol.
  • Aroma threshold values ​​detection: 2.7 to 11 ppm. Aroma characteristics at 1.0%: pungent, solvent-like ethereal, fruity lift, green banana sweet with an apple and tropical fruit nuance.
  • Taste threshold values ​​Taste characteristics at 10 to 15 ppm: bubble gum estery, fruity, ethereal, tutti-frutti, banana and honey.
  • General description A clear colorless liquid with a pleasant odor. Flash point 58 ° F. Less dense than water, vapors are heavier than air.
  • Air & Water reactions Highly flammable. Slightly soluble in water.
  • Show reactivity Propyl 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].
  • Hazard flammable, dangerous fire risk, explosive limits in air 2–8%. Eye and upper respiratory tract irritant.
  • Health hazard contact 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 Hazard The acute toxicity of n-propyl acetate islow in test animals. The toxicity, however, is slightly greater than ethyl acetate and isopropyl acetate. Exposure to its vapor products irritation of the eyes, nose, and throat 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 may cause mild irritation upon contact with skin
    LD50 value, oral (mice): 8300 mg / kg.
  • Fire hazard HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to the 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 Reactivity Reactivity 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 profile Moderately 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.
  • possible exposure Propyl 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).
  • Versand / Shipping UN1276 n-Propyl acetate, Hazard Class: 3; Labels: 3-Flammable liquid.
  • Purification method Wash 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.]
  • Incompatibilities Contact with nitrates, strong oxidizers; strong alkalis; strong acids; may pose risk of fire and explosions. Attacks plastic.
  • 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.
Propyl acetate upstream materials and downstream products
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