Octanal CAS 124-13-0
Introduction：Basic information about Octanal CAS 124-13-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
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 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 | n |
| FEMA | 2797 | OCTANAL |
| Fp | 125 °F |
| storage temp. | Store below +30°C. |
| solubility | 0.21g/l |
| form | Liquid |
| color | Clear colorless to pale yellow |
| Odor | fatty-orange odor |
| Odor Threshold | 0.00001ppm |
| Odor Type | aldehydic |
| biological source | synthetic |
| explosive limit | 1.0-6.5%(V) |
| Water Solubility | slightly soluble |
| Sensitive | Air Sensitive |
| Merck | 14,1766 |
| JECFA Number | 98 |
| BRN | 1744086 |
| Stability: | Stable. Flammable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases. |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3 |
| InChIKey | NUJGJRNETVAIRJ-UHFFFAOYSA-N |
| SMILES | [H]C(=O)CCCCCCC |
| LogP | 3.5 at 20℃ |
| CAS DataBase Reference | 124-13-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Octanal(124-13-0) |
| EPA Substance Registry System | Octanal (124-13-0) |
Safety Information
| Risk Statements | 10 |
| Safety Statements | 16 |
| RIDADR | UN 1191 3/PG 3 |
| WGK Germany | 2 |
| RTECS | RG7780000 |
| F | 10 |
| Autoignition Temperature | 190 °C |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29121990 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Aquatic Chronic 3 Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 |
| Hazardous Substances Data | 124-13-0(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 4616 mg/kg LD50 dermal Rabbit 5207 mg/kg |
| Description | May be prepared by oxidation of the corresponding alcohol orreduction of the corresponding acid; also from coconut fatty acidsvia methyl-n-octanoate. |
| Chemical Properties | n-Octanal has a fatty, citrus, honey odor on dilution. |
| Chemical Properties | Octanal occurs in several citrusoils, for example, orange oil. It is a colorless liquid with a pungent odor, whichbecomes citrus-like on dilution. Octanal is used in perfumery in low concentrations,in eau de cologne, and in artificial citrus oils. |
| Occurrence | Reported found in the essential oils of sweet orange, bitter orange, mandarin, tangerine, grapefruit, Mexicanlime, 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, passionfruit, starfruit, beans, mushroom, trassi, macadamia nut, sesame seed, mango, cauliflower, tamarind, fig, calamus, rice, sweetpotato, dill, lovage, caraway seed, corn oil, corn tortillas, loquat, shrimp, lobster, oyster, crab, crayfish, clam, maté, angelica root oiland mastic gum oil. |
| Uses | Octanal 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. |
| Preparation | By oxidation of the corresponding alcohol or reduction of the corresponding acid; also from coconut fatty acids viamethyl-n-octoate. |
| Definition | ChEBI: A fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid). |
| Aroma threshold values | Detection: 1.4 to 6.4 ppb |
| Taste threshold values | Taste 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 Description | Colorless 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 Reactions | Flammable. Insoluble in water. |
| Reactivity Profile | OCTYL 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 Hazard | Inhalation 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 Hazard | HIGHLY 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 Explosibility | Flammable |
| Safety Profile | Mildly toxic byingestion and skin contact. A skin and eyeirritant. Flammable liquid when exposed toheat, sparks, or flame. Can react withoxidizing materials. To fight fire, use foam,CO2, dry chemical. See also ALDEHYDES. |
| Metabolism | Aldehydes 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
| Raw materials | Octanoic acid-->Rutile-->Copper chromite-->DIOCTYL ETHER |
| Preparation Products | 1-Octanol-->Octanoic acid-->gamma-Decalactone-->alpha-Hexylcinnamaldehyde-->HYDROXYCITRONELLOL-->N,N-Dimethyloctylamine-->Octenidine dihydrochloride-->2-Decenal, 2-hexyl--->N-Octyl pyrrolidone-->OCTANENITRILE-->N-HEPTYL ISOCYANATE-->Trioctyl borate-->FEMA 2811 |
