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Octanal

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Octanal Basic information
Octanal Chemical Properties
  • Melting point:12-15 °C(lit.)
  • Boiling point:171 °C(lit.)
  • Density 0.822 g/mL at 20 °C
  • vapor pressure 2 mm Hg ( 20 °C)
  • FEMA 2797 | OCTANAL
  • refractive index n20/D 1.421(lit.)
  • Flash point:125 °F
  • storage temp.  0-6°C
  • solubility 0.21g/l
  • form Liquid
  • color Clear colorless to pale yellow
  • Odorfatty-orange odor
  • Odor Threshold0.00001ppm
  • explosive limit1.0-6.5%(V)
  • Water Solubility slightly soluble
  • Sensitive Air Sensitive
  • Merck 14,1766
  • JECFA Number98
  • BRN 1744086
  • Stability:Stable. Flammable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases.
  • InChIKeyNUJGJRNETVAIRJ-UHFFFAOYSA-N
  • CAS DataBase Reference124-13-0(CAS DataBase Reference)
  • NIST Chemistry ReferenceOctanal(124-13-0)
  • EPA Substance Registry SystemOctanal (124-13-0)
Safety Information
  • Risk Statements 10
  • Safety Statements 16
  • RIDADR UN 1191 3/PG 3
  • WGK Germany 2
  • RTECS RG7780000
  • 10
  • Autoignition Temperature190 °C
  • TSCA Yes
  • HazardClass 3
  • PackingGroup III
  • HS Code 29121990
  • Hazardous Substances Data124-13-0(Hazardous Substances Data)
  • ToxicityLD50 orally in Rabbit: 4616 mg/kg LD50 dermal Rabbit 5207 mg/kg
MSDS
Octanal Usage And Synthesis
  • DescriptionMay be prepared by oxidation of the corresponding alcohol or reduction of the corresponding acid; also from coconut fatty acids via methyl-n-octanoate.
  • Chemical Propertiesn-Octanal has a fatty, citrus, honey odor on dilution.
  • Chemical Propertiesliquid
  • Chemical PropertiesOctanal occurs in several citrus oils, for example, orange oil. It is a colorless liquid with a pungent odor, which becomes citrus-like on dilution. Octanal is used in perfumery in low concentrations, in eau de cologne, and in artificial citrus oils.
  • OccurrenceReported found in the essential oils of sweet orange, bitter orange, mandarin, tangerine, grapefruit, Mexican lime, lemon, Taiwan citronella, rose, lemongrass, Pinus sabiniana, Pinus jefferyi, Xanthoxylum rhetsa, lime petitgrain, clary sage, lavandin, and others. Also reported in over 180 foods and beverages including apple, apricot, many berries, guava, grapes, melon, papaya, celery, peas, potato, potato chips, tomato, ginger, spearmint oil, cheeses, butter, milk, cooked egg, fish and fish oil, meats, hop oil, beer, rum, cider, white wine, cocoa, tea, roasted filberts and peanuts, pecans, oats, coconut products, soybean, avocado, passion fruit, starfruit, beans, mushroom, trassi, macadamia nut, sesame seed, mango, cauliflower, tamarind, fig, calamus, rice, sweet potato, dill, lovage, caraway seed, corn oil, corn tortillas, loquat, shrimp, lobster, oyster, crab, crayfish, clam, maté, angelica root oil and mastic gum oil.
  • PreparationBy oxidation of the corresponding alcohol or reduction of the corresponding acid; also from coconut fatty acids via methyl-n-octoate.
  • DefinitionChEBI: A fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid).
  • Aroma threshold valuesDetection: 1.4 to 6.4 ppb
  • Taste threshold valuesTaste characteristics at 25 ppm: aldehyde, green with a peely, citrus, orange note.
  • General DescriptionColorless liquids with a strong fruity odor. Less dense than water and insoluble in water. Flash points 125°F. Used in making perfumes and flavorings.
  • Air & Water ReactionsFlammable. Insoluble in water.
  • Reactivity ProfileOCTYL ALDEHYDES are aldehydes. 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.
  • Health HazardInhalation may be irritating to mucous membrane; overexposure may cause dizziness and collapse. Ingestion causes irritation of mouth and stomach. Contact with eyes or skin causes irritation.
  • 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 ProfileMildly toxic by ingestion and skin contact. A skin and eye irritant. Flammable liquid when exposed to heat, sparks, or flame. Can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. See also ALDEHYDES.
  • MetabolismAldehydes C-8, C-10, C-12 and C-14 (myristic), the lower unsubstituted aliphatic aldehydes, are readily oxidized in the animal body to the corresponding fatty acids, which normally undergo oxidation and are eventially oxidized to carbon dioxide and water.
Octanal Preparation Products And Raw materials
Octanal(124-13-0)Related Product Information
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