Octanal

Octanal Basic information
Product Name:Octanal
Synonyms:octylaldehydes;Caprylaldehyde~Octyl aldehyde;OCTANAL 92+% NATURAL FCC;OCTANAL 92+% FCC;n-Caprylaldehyde=AldehydC8;ALDEHYDE C-8, NATURAL;Octanal, 1-: (Octanol: Octanaldehyde);Octanal, 98+%
CAS:124-13-0
MF:C8H16O
MW:128.21
EINECS:204-683-8
Product Categories:
Mol File:124-13-0.mol
Octanal Structure
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)
refractive index n20/D 1.421(lit.)
FEMA 2797 | OCTANAL
Fp 125 °F
storage temp. Store below +30°C.
solubility 0.21g/l
form Liquid
color Clear colorless to pale yellow
Odorfatty-orange odor
Odor Threshold0.00001ppm
Odor Typealdehydic
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
LogP3.5 at 20℃
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 Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
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 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.
UsesOctanal is an aromatic aldehyde often found in citrus oils. It is used commercially as a component in perfumes and in flavor production for the food industry.
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.
Synthesis Reference(s)Journal of the American Chemical Society, 99, p. 3837, 1977 DOI: 10.1021/ja00453a053
Journal of Heterocyclic Chemistry, 29, p. 257, 1992 DOI: 10.1002/jhet.5570290148
Tetrahedron Letters, 36, p. 2247, 1995 DOI: 10.1016/0040-4039(95)00262-B
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.
Flammability and ExplosibilityFlammable
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 SUBEROYL CHLORIDE 10-UNDECENOYL CHLORIDE Cyclopentadecanone 1-Nonanal Paraldehyde NONANOYL CHLORIDE METHYL O-METHYLPODOCARPATE Decanoyl chloride Cyclopentylpropionyl chloride Octyldodecyldimethylammonium chloride Myristoyl chloride ELAIDOYL CHLORIDE CYCLOTRIDECANONE Lauroyl chloride 3-Cyclopentylpropionic acid STEAROYL CHLORIDE cyclamen aldehyde

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