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Hexanal

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Hexanal Basic information
  • Product Name:Hexanal
  • CAS:66-25-1
  • MF:C6H12O
  • MW:100.16
  • EINECS:200-624-5
  • Mol File:66-25-1.mol
Hexanal Chemical Properties
  • Melting point:-56 °C
  • Boiling point:130-131 °C(lit.)
  • Density 0.816 g/mL at 20 °C
  • vapor density >1 (vs air)
  • vapor pressure 10 mm Hg ( 20 °C)
  • refractive index n20/D 1.4035(lit.)
  • FEMA 2557 | HEXANAL
  • Flash point:90 °F
  • storage temp. 2-8°C
  • solubility 6g/l
  • form Liquid
  • color Clear colorless to slightly yellow
  • PH4-5 (4.8g/l, H2O, 20℃)
  • OdorPungent.
  • Odor Threshold0.00028ppm
  • Water Solubility 4.8 g/L (20 ºC)
  • Sensitive Air Sensitive
  • JECFA Number92
  • Merck 14,1760
  • BRN 506198
  • Stability:Stable. Flammable. Incompatible with oxidizing agents, strong bases, strong reducing agents.
  • CAS DataBase Reference66-25-1(CAS DataBase Reference)
  • NIST Chemistry ReferenceHexanal(66-25-1)
  • EPA Substance Registry SystemHexaldehyde (66-25-1)
Safety Information
  • Hazard Codes Xi
  • Risk Statements 10-36-36/37/38
  • Safety Statements 37/39-26-16-9
  • RIDADR UN 1207 3/PG 3
  • WGK Germany 1
  • RTECS MN7175000
  • 13
  • Autoignition Temperature220 °C
  • Hazard Note Irritant
  • TSCA Yes
  • HS Code 2912 19 00
  • HazardClass 3
  • PackingGroup III
  • Hazardous Substances Data66-25-1(Hazardous Substances Data)
  • ToxicityLD50 orally in rats: 4.89 g/kg (Smyth)
MSDS
Hexanal Usage And Synthesis
  • DescriptionHexanal has a characteristic fruity odor and taste (on dilution). May be prepared from the calcium salt of caproic acid and formic acid.
  • Chemical PropertiesHexanal has a fatty, green, grassy, powerful, penetrating characteristic fruity odor and taste (on dilution).
  • Chemical PropertiesColorless liquid; sharp aldehyde odor.Immiscible with water.
  • Chemical PropertiesHexanal occurs, for example, in apple and strawberry aromas as well as in orange and lemon oil. It is a colorless liquid with a fatty, green odor and, in low concentration, is reminiscent of unripe fruit.
    Hexanal is used in fruit flavors and, when highly diluted, in perfumery for obtaining fruity notes.
  • OccurrenceReported found in some natural aromas of apple, strawberry, camphor oil, tea extracts, tobacco leaves, Eucalyptus globulus, dwarf pine, bitter orange and coffee. Also reported found in nearly 300 natural sources including apple, apricot, banana, sweet and sour cherry, citrus peel oils and juices, berries, guava, melon, raisins, peach, pear, papaya, pineapple, asparagus, cabbage, celery, carrot, lettuce, shallots, onion, leek, ginger, parsley, bread, cheeses, butter, milk, fish, meats, cocoa, coffee, tea, nuts, popcorn, potato chips, oat products, honey, soybean, plum, cauliflower, beetroot, celery root, figs, cardamom, coriander seed and leaf, brussel sprouts, rice, quince, radish, lovage, corn oil, laurel and malt
  • UsesHexanal occurs naturally inmany foods, such as in ripening fruits, or because of addition as a flavorant; it has an apple taste. It can also be produced in foods because of lipid peroxidation during cooking. It is mainly used as a food flavorant, in fragrances, and in the manufacture of dyes, plasticizers, synthetic resins, and pesticides. It is released to air and water during production or use for the manufacture of other products or during the use of these products themselves. It undergoes oxidation and polymerization readily.
    Feron et al. identified hexanal in about 80 different types of food.
  • UsesAnalgesic; antidepressant.
  • DefinitionChEBI: A fatty aldehyde that is hexane in which one of the terminal methyl group has been mono-oxygenated to form the corresponding aldehyde.
  • PreparationPrepared from the calcium salt of caproic acid and formic acid
  • Aroma threshold valuesDetection: 4.1 to 22.8 ppb; recognition: 400 ppb; aroma characteristics at 2.0%: green, fatty, leafy, vegetative, fruity and clean with a woody nuance
  • Taste threshold valuesTaste characteristics at 2.5 ppm: green, woody, vegetative, apple, grassy, citrus and orange with a fresh, lingering aftertaste
  • Synthesis Reference(s)Journal of the American Chemical Society, 93, p. 1693, 1971 DOI: 10.1021/ja00736a021
  • General DescriptionA clear colorless liquid with a pungent odor. Flash point 90°F. Less dense than water and insoluble in water. Vapors heavier than air.
  • Air & Water ReactionsHighly flammable. Insoluble in water.
  • Reactivity ProfileCaproaldehyde is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation. May attack some forms of plastics [USCG, 1999].
  • HazardFlammable, moderate fire risk.
  • Health HazardIngestion causes irritation of mouth and stomach. Contact with vapor or liquid irritates eyes. Liquid irritates skin.
  • Fire HazardBehavior in Fire: Vapor is heavier than air and may travel to a source of ignition and flash back.
  • Chemical ReactivityReactivity with Water No reaction; Reactivity with Common Materials: May attack some plastics; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
Hexanal Preparation Products And Raw materials
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