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2-Pentanone

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2-Pentanone Basic information
2-Pentanone Chemical Properties
  • Melting point:-78 °C
  • Boiling point:101-105 °C(lit.)
  • Density 0.809 g/mL at 25 °C(lit.)
  • vapor pressure 27 mm Hg ( 20 °C)
  • FEMA 2842 | 2-PENTANONE
  • refractive index n20/D 1.39(lit.)
  • Flash point:45 °F
  • storage temp. Flammables area
  • solubility water: soluble72.6g/L at 20°C (OECD Test Guideline 105)
  • form Liquid
  • Relative polarity0.321
  • Odor Threshold0.028ppm
  • explosive limit1.56-8.70%(V)
  • Water Solubility 43 g/L (20 ºC)
  • λmaxλ: 330 nm Amax: 1.00
    λ: 340 nm Amax: 0.10
    λ: 350 nm Amax: 0.01
    λ: 370-400 nm Amax: 0.005
  • JECFA Number279
  • Merck 14,6114
  • BRN 506058
  • Henry's Law Constant12.30 at 25.00 °C (headspace-GC, Straver and de Loos, 2005)
  • Exposure limitsTLV-TWA 700 mg/m3 (200 ppm); STEL 875 mg/m3 (250 ppm) (ACGIH).
  • Stability:Stable. Highly flammable - note low flashpoint. Incompatible with strong bases, oxidizing agents, reducing agents.
  • CAS DataBase Reference107-87-9(CAS DataBase Reference)
  • NIST Chemistry Reference2-Pentanone(107-87-9)
  • EPA Substance Registry System2-Pentanone (107-87-9)
Safety Information
MSDS
2-Pentanone Usage And Synthesis
  • Description2-Pentanone or methyl propyl ketone (MPK) is a colorless liquid ketone with the odor of fingernail polish or a strong fruity odor. It was found in apple and can be isolated from soya oil (Glycine max), pineapple and a few other plant sources. It also occurs naturally in tobacco and blue cheese as a metabolic product of Penicillium mold growth. It is a solvent of minor importance that can be used for cleaning or degreasing and becoming part of product formulation or mixture. It is also an industrial intermediate and can be used for paint additives and coating additives. It is sometimes used in very small amounts as a flavoring food additive.
  • References1. https://en.wikipedia.org/wiki/2-Pentanone
    2. http://www.hmdb.ca/metabolites/HMDB34235
    3. https://cameochemicals.noaa.gov/chemical/1130
    4. https://pubchem.ncbi.nlm.nih.gov/compound/2-Pentanone#section=Uses
    5. http://nj.gov/health/eoh/rtkweb/documents/fs/1292.pdf
  • Chemical Properties2-Pentanone has an ethereal, fruity odor.
  • Chemical Propertiescolourless liquid
  • Chemical PropertiesMPK is a colorless to water-white liquid with a strong odor resembling acetone and ether.
  • Physical propertiesClear, colorless, very flammable liquid with a characteristic, pungent odor. An odor threshold concentration of 20 ppbv was determined by a triangular odor bag method (Nagata and Takeuchi, 1990). Cometto-Mu?iz et al. (2000) reported nasal pungency threshold concentration ranging from approximately 500 to 3,200 ppm.
  • OccurrenceReported found in wood spirit; also present in Ananas sativus; a few banana species, grapevines and some citrus fruits. Also reported found in over 120 foods and beverages including fresh apple, papaya, fresh blackberry, vinegar, wheaten bread, other types of bread, Swiss cheese, Camembert cheese, cheddar cheese, other cheeses, white wine, unprocessed rice, water yam, apricot, orange juice, guava, grapes, pear, pineapple, strawberry, asparagus, carrot, celery, peas, tomato, butter, yogurt, cream, milk powder, buttermilk, boiled egg, caviar, raw fish, cooked chicken and beef, pork fat, pork liver, hop oil, beer, cognac, rum, bourbon whiskey, white wine, cocoa, coffee, roasted filberts and peanuts, peanut oil, potato chips, oat flakes, honey, soybean, passion fruit, plum, beans, mushroom, starfruit, trassi, mango, globe artichoke, rice, soursop, malt, loquat, endive, shrimp, crab, lamb’s lettuce and cape gooseberry.
  • Uses2-Pentanone is a flavoring agent that is a clear liquid, colorless, with flowery odor. it is miscible in alcohol and ether and soluble in water. it is obtained by chemical synthesis. it is also termed methyl propyl ketone.
  • UsesMethyl propyl ketone (MPK) is used asa solvent, in organic synthesis, and as aflavoring agent.
  • UsesSolvent, substitute for diethyl ketone, flavoring.
  • DefinitionChEBI: A pentanone carrying an oxo substituent at position 2.
  • Production MethodsMPK can be manufactured by oxidation of 2-pentanol, from ethylene and methyl acetoacetate, or by distillation of a mixture of calcium acetate and calcium butyrate. Commercial purity can be 90% MPK; however, some commercial materials are a mixture of MPK and diethylketone with small amounts of sec-amyl acetate.
  • PreparationBy dry distillation of a mixture consisting of calcium acetate and calcium butyrate; also by oxidation of sodium or ammonium n-caproate with H2O2.
  • Aroma threshold valuesDetection: 70 ppb
  • Taste threshold valuesTaste characteristics at 25 ppm: sweet, fruity and banana-like with a fermented nuance.
  • General DescriptionA clear colorless liquid with the odor of fingernail polish. Flash point 45°F. Less dense than water and soluble in water. Hence floats on water. Density 0.809 g / cm3. Vapors heavier than air.
  • Air & Water ReactionsHighly flammable. Soluble in water.
  • Reactivity Profile2-Pentanone is incompatible with oxidizing agents, strong bases and reducing agents. Reacts violently with bromine trifluoride .
  • HazardFlammable, dangerous fire risk, explosivelimits in air 1.6–8.2%. Eye irritant and affects pul-monary function.
  • Health HazardExposure can cause irritation of eyes, nose and throat.
  • Health HazardInhalation of MPK vapors can cause narcosisand irritation of the eyes and respiratorytract. Chronic poisoning from this compoundis not known. Exposure to 1500 ppm wasseverely irritating to humans and 2000 ppmfor 4 hours was fatal to rats. In guinea pigs5000 ppm produced coma.
  • Fire HazardFlammable liquid; flash point (closed cup) 7°C (45°F); vapor density 3 (air = 1); vapor pressure 27 torr at 20°C (68°F); the vapor can travel a considerable distance to an ignition source and flash back; autoignition temperature 452°C (846°F); fire- extinguishing agent: “alcohol” foam; a water spray may be used to absorb the heat and flush the spill away from exposures. MPK forms an explosive mixture with air in the range 1.5–8.2% by volume of air. Heating with oxidizers can cause an explosion (U.S. EPA 1988).
  • Safety ProfileModerately toxic by ingestion and intraperitoneal routes. Mildly toxic by skin contact and inhalation. Human systemic effects by inhalation: headache, nausea, irritation of the respiratory passages, eyes, and skin. A skin irritant. Mutation data reported. A hghly flammable liquid. A very dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidzing materials. An explosion hazard in the form of vapor when exposed to heat or flame. To fight fue, use alcohol foam. Mxtures with bromine trifluoride may explode during evaporation. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES
  • Potential ExposureMPK is used as a solvent; as a synthetic food flavoring agent; and in organic synthesis; as a solvent replacement for diethyl ketone and acetone.
  • Environmental FateChemical/Physical. Atkinson et al. (2000) studied the gas-phase reaction of 2-pentanone with OH radicals in purified air at 25 °C and 740 mmHg. A relative rate constant of 4.56 x 10-12 cm3/molecule·sec was calculated for this reaction. Reaction products identified by GC, FTIR, and atmospheric pressure ionization tandem mass spectroscopy were (with respective molar yields) were: formaldehyde, 1.03; acetaldehyde, 0.51; propanal, 0.19; 2,4-pentanedione, 0.12; and molecular weight 147 organic nitrates.
    At an influent concentration of 1.0 g/L, treatment with GAC resulted in an effluent concentration of 305 mg/L. The adsorbability of the GAC was 139 mg/g carbon (Guisti et al., 1974).
    Will not hydrolyze in water because 3-pentanone does not contain a hydrolyzable group.
  • ShippingUN1249 Methyl propyl ketone, Hazard Class: 3; Labels: 3-Flammable liquid.
  • Purification MethodsPurify the ketone by refluxing it with a little KMnO4, dry it with CaSO4 and distil it. It can be converted to its bisulfite addition compound by shaking with excess saturated aqueous NaHSO3 at room temperature, cooling to 0o, filtering, washing with diethyl ether and drying. Steam distillation of the adduct gives a distillate from which the ketone is recovered, washed with aqueous NaHCO3 and distilled water, dried (K2CO3) and fractionally distilled. [Waring & Garik J Am Chem Soc 78 5198 1956, Beilstein 1 IV 3271.]
  • IncompatibilitiesKetones are 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, nitrated amines, azo, diazo, azido compounds, carbamates, organic cyanates. Attacks some plastics
  • 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.
2-Pentanone Preparation Products And Raw materials
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