OCTANONE,2-
2-octanone
CAS: 111-13-7
Molecular Formula: C8H16O
OCTANONE,2- - Names and Identifiers
| Name | 2-octanone |
| Synonyms | MHK octan-2- FEMA 2802 2-octanone octan-2-one Octan-2-one OCTANONE,2- SEC-OCTANONE n-C6H13COCH3 femanumber2802 2-OCTANONE OEKANAL HEXYL METHYL KETONE Methyl hexyl ketone n-Hexyl methyl ketone METHYL N-HEXYL KETONE 2-OCTANONE, STANDARD FOR GC |
| CAS | 111-13-7 |
| EINECS | 203-837-1 |
| InChI | InChI=1/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3 |
OCTANONE,2- - Physico-chemical Properties
| Molecular Formula | C8H16O |
| Molar Mass | 128.21 |
| Density | 0.819g/mLat 25°C(lit.) |
| Melting Point | -16 °C |
| Boling Point | 173°C(lit.) |
| Flash Point | 133°F |
| JECFA Number | 288 |
| Water Solubility | 0.9 g/L |
| Solubility | 0.9g/l |
| Vapor Presure | 1.8-2.614hPa at 20-25℃ |
| Appearance | Liquid |
| Color | Clear colorless to very slightly yellow |
| Merck | 14,4711 |
| BRN | 635843 |
| Storage Condition | Sealed in dry,2-8°C |
| Stability | Stable. Incompatible with strong oxidizing agents. Flammable. |
| Refractive Index | n20/D 1.416(lit.) |
| Physical and Chemical Properties | Colorless to light yellow liquid, Apple-like aroma. Melting Point -20.9 °c, boiling point 175 °c. Slightly soluble in water, soluble in ethanol, hydrocarbons, ether and esters. |
| Use | Used in fiber, medicine, pesticide, perfume chemical industry and other fields, used as synthetic fiber oil agent, defoaming agent and preparation of surfactant, coal mine flotation agent |
OCTANONE,2- - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R21 - Harmful in contact with skin R10 - Flammable |
| Safety Description | S36/37 - Wear suitable protective clothing and gloves. S16 - Keep away from sources of ignition. |
| UN IDs | UN 1224 3/PG 3 |
| WGK Germany | 1 |
| RTECS | RH1484000 |
| TSCA | Yes |
| HS Code | 29141990 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | Both the acute oral LD50 in rats and the acute dermal LD50 in rabbits exceeded 5 g/kg (Moreno, 1973). |
OCTANONE,2- - Upstream Downstream Industry
| Raw Materials | 2-Octanol |
OCTANONE,2- - Reference
| Reference Show more | 1. [IF=4.35] Tian Lan et al."Analysis of the Aroma Chemical Composition of Commonly Planted Kiwifruit Cultivars in China."Foods. 2021 Jul;10(7):1645 |
OCTANONE,2- - Reference Information
| FEMA | 2802 | 2-OCTANONE |
| LogP | 1.95-2.37 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| flavors and spices | secondary octanone (2-octanone) is naturally found in cocoa, roasted peanuts, potato chips, yogurt, beer, buttermilot, bananas and citrus fruits. Its sensory characteristics are: mildew fragrance, ketone fragrance, and the smell of milk, cheese, and mushrooms. It is recommended to prepare edible flavors such as apples, coconuts, milk, cream, cheese, mushrooms, etc. |
| content analysis | determined by gas chromatography (GT-10-4) with polar column. |
| toxicity | LD501600mg/kg (mice). |
| usage limit | FEMA(mg/kg): beverage 0.10~1.0; Ice cream 0.20~1.0; Candy 0.40~4.0; Baked food 0.40~4.0. Moderate limit (FDA,§ 172.515,2000). |
| use | GB 2760-1996 specified as allowed edible spices. GB 2760-1996 provisions are allowed to use edible spices; Used in fiber, medicine, pesticide, perfume chemical industry and other fields, used as synthetic fiber oil agent, foaming agent and surfactant, flotation agent for coal mine, etc. |
| production method | is formed by oxidation of secondary octanol, a cracked product of castor oil. |
| category | flammable liquid |
| toxicity classification | poisoning |
| acute toxicity | abdominal injection-rat LD50: 800 mg/kg; Oral administration-mouse LD50: 3824 mg/kg |
| stimulation data | skin-rabbit 500 mg/24 hours mild |
| flammability hazard characteristics | combustible in case of open flame, high temperature and strong oxidant; Combustion emission stimulates smoke |
| storage and transportation characteristics | complete packaging, light and light; warehouse ventilation, away from open flames, high temperature, separate storage from oxidant |
| fire extinguishing agent | foam, carbon dioxide, dry powder, sand |
| occupational standard | STEL 200 mg/m3 |
| 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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Raw Materials for OCTANONE,2-