Octyl aldehyde
Octyl aldehyde
CAS: 124-13-0
Molecular Formula: C8H16O
Octyl aldehyde - Names and Identifiers
| Name | Octyl aldehyde |
| Synonyms | C-8 Octanal Octanal(C-8) Octyl aldehyde Caprylaldehyde octylaldehydes Capryl aldehyde caprylic aldehyde ALDEHYDE C-8, NATURAL Caprylaldehyde~Octyl aldehyde |
| CAS | 124-13-0 |
| EINECS | 204-683-8 |
| InChI | InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3 |
| InChIKey | NUJGJRNETVAIRJ-UHFFFAOYSA-N |
Octyl aldehyde - Physico-chemical Properties
| Molecular Formula | C8H16O |
| Molar Mass | 128.21 |
| Density | 0.822g/mLat 20°C |
| Melting Point | 12-15°C(lit.) |
| Boling Point | 171°C(lit.) |
| Flash Point | 125°F |
| JECFA Number | 98 |
| Water Solubility | slightly soluble |
| Solubility | 0.21g/l |
| Vapor Presure | 2 mm Hg ( 20 °C) |
| Appearance | Liquid |
| Color | Clear colorless to pale yellow |
| Odor | fatty-orange odor |
| Merck | 14,1766 |
| BRN | 1744086 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases. |
| Sensitive | Air Sensitive |
| Explosive Limit | 1.0-6.5%(V) |
| Refractive Index | n20/D 1.421(lit.) |
| Physical and Chemical Properties | Colorless liquid. Boiling point 170 ℃, melting point 54 ℃, relative density 0.818-0.830, refractive index 1.417-1.425, flash point 54 ℃, soluble in 2 volume 70% ethanol and oil. Acid value <10.0. There is a sharp and strong fat wax flavor, with a fruit flavor of Jasmine. Poor fragrance retention. There was sweet orange-like aroma after extreme dilution, with slightly fat and honey flavor. |
Octyl aldehyde - Risk and Safety
| Risk Codes | 10 - Flammable |
| Safety Description | 16 - Keep away from sources of ignition. |
| UN IDs | UN 1191 3/PG 3 |
| WGK Germany | 2 |
| RTECS | RG7780000 |
| FLUKA BRAND F CODES | 10 |
| TSCA | Yes |
| HS Code | 29121990 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 4616 mg/kg LD50 dermal Rabbit 5207 mg/kg |
Octyl aldehyde - Reference Information
| FEMA | 2797 | OCTANAL |
| olfactory Threshold | 0.00001ppm |
| LogP | 3.5 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| content analysis | Method 1: determination by non-polar column method according to General Gas chromatography (GT-10-4). Method 2 a sample of about 1 g is precisely weighed and then quantified according to Method 1 in the aldehyde and ketone assay (OT-7), except that the standing time is changed to 15 min. The equivalence factor (e) in the calculation is taken as 64.11. Method Three was determined by aldehyde assay (OT-6). The amount of the sample was 1.5g. The equivalence factor (e) in the calculation is taken as 64.11. |
| toxicity | ADI 0-0.1 mg/kg(FAO/WHO,1994). LD50 5630 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drinks 1.4; Cold drinks 1.6; Candy 3.4; Baked goods 4.4; pudding 3.0~6.1; Gum 0.10. Moderate limits (FDA § 172.515,2000). |
| Use | is one of the components of Rose head fragrance, and is also used for sweet orange flower, orange flower, bergamot and citrus Gulong type. Can also be used in trace amounts of imitation cream, chocolate, apricot, plum, grape, lemon, orange, cheese and other food flavors. octanal has a strong fruit aroma, and has a pleasant sweet orange aroma when it is extremely thin. China's GB 2760-86 provides temporary use of edible spices, which are mainly used for the blending of citrus spices, in beverages, ice cream, candy, bread, etc. in the amount of 1.4-4.4ppm, can also be used as soap, detergent spices. Octanal is also an intermediate in organic synthesis. GB 2760-1996 provides temporary permission for the use of flavorants. Mainly used in the preparation of apricot, plum, cream, chocolate, grape and citrus flavor. Dosage is generally <10mg/kg, so as to avoid bad oil odor. |
| production method | is obtained from the oxidation of octanol by copper, platinum, silver oxide treated copper mesh and the like. Octanoic acid was prepared by nickel catalyst at 300 °c. octanol or octanoic acid may be used as a raw material. Octanol is oxidized in the presence of copper chromium catalyst to produce octanal. Octanal can be produced in 300 yield using a variety of methods for producing octanoic acid from octanoic acid, for example by mixing octanoic acid vapor with excess formic acid vapor over a titanium oxide or manganese oxide catalyst at 90% °c. |
| category | flammable liquid |
| toxicity grade | low toxicity |
| Acute toxicity | oral-rat LD50: 5630 mg/kg |
| stimulation data | Skin-rabbits 500 mg/24 h mild; eye-rabbit 100 mg mild |
| flammability hazard characteristics | flammable in open flame, high temperature, strong oxidant; combustion emissions |
| storage and transportation characteristics | The package is complete, light, light; The warehouse is ventilated, away from open flame, high temperature, separate from oxidant |
| fire extinguishing agent | foam, carbon dioxide, dry powder, sand |
| spontaneous combustion temperature | 190°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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