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1-Pentanol

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1-Pentanol Basic information
1-Pentanol Chemical Properties
  • Melting point:−78 °C(lit.)
  • Boiling point:136-138 °C(lit.)
  • Density 0.811 g/mL at 25 °C(lit.)
  • vapor density 3 (vs air)
  • vapor pressure 1 mm Hg ( 13.6 °C)
  • refractive index n20/D 1.409(lit.)
  • FEMA 2056 | AMYL ALCOHOL
  • Flash point:120 °F
  • storage temp. Flammables area
  • solubility water: soluble22.8g/L at 25°C
  • pka15.24±0.10(Predicted)
  • form Liquid
  • color APHA: ≤30
  • PH Range7
  • OdorPleasant 0.1 ppm
  • Relative polarity0.568
  • Odor Threshold0.1ppm
  • explosive limit10%, 100°F
  • Water Solubility 22 g/L (22 ºC)
  • JECFA Number88
  • Merck 14,7118
  • BRN 1730975
  • Stability:Stable. Flammable. Incompatible with strong oxidizing agents.
  • CAS DataBase Reference71-41-0(CAS DataBase Reference)
  • NIST Chemistry Reference1-Pentanol(71-41-0)
  • EPA Substance Registry System1-Pentanol (71-41-0)
Safety Information
  • Hazard Codes Xn,F,Xi
  • Risk Statements 10-20-37-66-37/38
  • Safety Statements 46-36/37
  • RIDADR UN 1105 3/PG 3
  • WGK Germany 1
  • RTECS SB9800000
  • Autoignition Temperature572 °F
  • Hazard Note Irritant/Flammable
  • TSCA Yes
  • HS Code 2905 19 00
  • HazardClass 3
  • PackingGroup II
  • Hazardous Substances Data71-41-0(Hazardous Substances Data)
  • ToxicityLD50 orally in Rabbit: 3670 mg/kg LD50 dermal Rabbit 2306 mg/kg
MSDS
1-Pentanol Usage And Synthesis
  • Chemical Properties1-Pentanol is a clear, colorless liquid at ambient temperatures.The air odor detection level (lowest perceptible level) was reported as 10 ppm for 1-pentanol .
  • Chemical PropertiesAmyl alcohols (pentanols) have eight isomers. All are flammable, colorless liquids, except the isomer 2,2- dimethyl-1-propanol, which is a crystalline solid.
    Amyl alcohol has a characteristic fusel-like sweet and pleasant odor and burning taste. It is somewhat more toxic than ethyl alcohol.
  • OccurrenceReported found in banana, sweet cherry, cranberry, bourbon, vanilla, rice bran and Brazil nut.
  • UsesRaw material for pharmaceutical preparations; organic synthesis solvent.
  • Production Methods1-Pentanol is made primarily by the oxo process, which involves the reaction of butenes with carbon monoxide and hydrogen in the presence of a catalyst, followed by hydrogenation. 1-Pentanol is used as a solvent, as a chemical intermediate for esters, and as a food additive and flavoring substance. The primary routes of industrial exposure are by dermal contact and inhalation.
  • DefinitionChEBI: An alkyl alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia.
  • Aroma threshold valuesDetection at 1.6 to 70 ppm
  • Taste threshold valuesTaste characteristics at 50 ppm: intense fusel, fermented, bready and cereal with a fruity undertone
  • General DescriptionA colorless liquid with a mild to moderately strong odor. Less dense than water. Flash point 91°F. Boiling point 280°F. Vapors heavier than air. Moderately toxic by ingestion. Vapors may irritate skin and eyes. Used as a solvent and to make other chemicals.
    Pentanol is incompatible with strong oxidising agents, alkali metals, alkaline earth metals, halogens, hydrogen trisulphide, acids, acetaldehyde, acid anhydrides, acid chlorides, lithium aluminium hydride, isocyanates, dialkylmagnesiums, n-halomides, ethylene oxide, hypochlorous acid, hydrogen peroxide and sulphuric acid, nitrogen tetraoxide, nitryl hypochlorite, permonosulphuric acid, and tri-isobutyl aluminium.
  • Air & Water ReactionsHighly flammable. Soluble in water.
  • Reactivity ProfileModerately toxic, flammable if exposed to powerful oxidizers. Incompatible with oxidizing materials, hydrogen trisulfide [Sax, 9th ed., 1996, p. 224].
  • HazardLower explosive level in air 1.2% by volume. Moderate fire risk.
  • Health HazardIrritation of skin, eyes, and respiratory tract; headache and vertigo; dyspnea and cough; nausea, vomiting, and diarrhea. Double vision, deafness, delirium, and occasionally fatal poisoning, preceded by severe nervous symptoms, have been reported. Coma, glycosuria, and methemoglobinemia can occur.
  • 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.
  • Safety ProfileModerately toxic by ingestion and skin contact. An eye and upper respiratory irritant by inhalation. A severe skin and eye irritant. Ingestion can cause headache, nausea, vomiting, delirium, and methemoglobin formation. Mutation data reported. Extremely flammable if exposed to heat, flame, or powerful oxiduers. Moderately explosive when exposed to flame. Incompatible with oxidzing materials, hydrogen trisulfide. To fight fire, use alcohol foam, dry chemical.
  • Potential Exposure(n-isomer); Suspected reprotoxic hazard, Primary irritant (w/o allergic reaction), (iso-, primary): Possible risk of forming tumors, Primary irritant (w/o allergic reaction), (sec-, active primary-, and other isomers) Primary irritant (w/o allergic reaction). Used as a solvent in organic synthesis and synthetic flavoring, pharmaceuticals, corrosion inhibitors; making plastics and other chemicals; as a flotation agent. The (n-isomer) is used in preparation of oil additives, plasticizers, synthetic lubricants, and as a solvent.
  • ShippingUN2811 Pentanols, Hazard Class: 3; Labels: 3- Flammable liquid. UN1987 Alcohols, n.o.s., Hazard Class: 3; Labels: 3-Flammable liquid.
  • Purification MethodsDry 1-pentanol with anhydrous K2CO3 or CaSO4, filter and fractionally distil it. It has also been treated with 1-2% of sodium and heated at reflux for 15hours to remove water and chlorides. Traces of water can be removed from the near-dry alcohol by refluxing it with a small amount of sodium in the presence of 2-3% n-amyl phthalate or succinate followed by distillation (see ethanol). Small amounts of amyl alcohol have been purified by esterifying with p-hydroxybenzoic acid, recrystallising the ester from CS2, saponifying with ethanolic-KOH, drying with CaSO4 and fractionally distilling [Olivier Recl Trav Chim Pays-Bas 55 1027 1936]. [Beilstein 1 IV 1640.]
  • IncompatibilitiesForms an explosive mixture with air. Contact with strong oxidizers and hydrogen trisulfide may cause fire and explosions. Incompatible with strong acids. Violent reaction with alkaline earth metals forming hydrogen, a flammable gas.
  • 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.
1-Pentanol Preparation Products And Raw materials
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