undecan-2-one
2-Undecanone
CAS: 112-12-9
Molecular Formula: C11H22O
undecan-2-one - Names and Identifiers
| Name | 2-Undecanone |
| Synonyms | FEMA 3093 2-Undecanon 2-Undecanone undecan-2-one 2-hendecanone Methyl-nonylketon METHYL NONYL KETONE 2-UNDECANONE OEKANAL Ketone, methyl nonyl Methyl n-nonyl ketone METHYL N-NONYL KETONE |
| CAS | 112-12-9 |
| EINECS | 203-937-5 |
| InChI | InChI=1/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3 |
undecan-2-one - Physico-chemical Properties
| Molecular Formula | C11H22O |
| Molar Mass | 170.29 |
| Density | 0.825g/mLat 25°C(lit.) |
| Melting Point | 11-13°C(lit.) |
| Boling Point | 231-232°C(lit.) |
| Specific Rotation(α) | 0.825 |
| Flash Point | 192°F |
| JECFA Number | 296 |
| Water Solubility | INSOLUBLE |
| Solubility | Soluble in ethanol and grease, insoluble in water. |
| Vapor Presure | <1 mm Hg ( 20 °C) |
| Vapor Density | 5.9 (vs air) |
| Appearance | Colorless to yellowish liquid |
| Color | Clear colorless to light yellow |
| Merck | 14,6104 |
| BRN | 1749573 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
| Refractive Index | n20/D 1.43(lit.) |
| MDL | MFCD00009583 |
| Physical and Chemical Properties | Colorless to light yellow liquid. It is citrus, oil and sulfur-like aroma. Boiling point 231~232 deg C. Soluble in ethanol and oil, insoluble in water. |
undecan-2-one - Risk and Safety
| Hazard Symbols | N - Dangerous for the environment |
| Risk Codes | R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S60 - This material and its container must be disposed of as hazardous waste. |
| UN IDs | UN3082 |
| WGK Germany | 2 |
| RTECS | YQ2820000 |
| TSCA | Yes |
| HS Code | 29141990 |
| Hazard Class | 9 |
| Packing Group | III |
| Toxicity | LD50 dermally in rabbits: >5 g/kg; LD50 orally in rats, mice: >5, 3.88 g/kg (Opdyke) |
undecan-2-one - Reference Information
| FEMA | 3093 | 2-UNDECANONE |
| LogP | 3.69 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Application | 2-Undecanone (2-Undecanone), also known as methylnonyl ketone, is colorless to slightly yellow liquid, has citrus oils and rutin oil like aroma, naturally exists in Houttuynia cordata, bananas, strawberries, cloves, ginger and rutaceae plants. The FEMA number is 3093, the FDA number is 172.515, and the CoE number is 150. Methyl nonyl ketone is the active ingredient of Houttuynia cordata, which emits citrus aroma. It is mainly used in the production of drugs and spices. It is safer and more effective than DEET for mosquito repellent. my country's GB2760-2011 regulations are allowed to use edible spices for blending edible flavors; it can also be used as an intermediate in the production of spices and used in the production of houttuyfonate in the pharmaceutical industry; at the same time, due to 2-undecanone It has a strong smell, research by North Carolina State University shows that 2-undecanone can also be used as an insecticide or mosquito repellent. |
| preparation | the preparation of 2-undecanone is as follows: accurately weigh 2000g of freshly picked prickly pepper fruit, dry it at 50 ℃, pulverize it to a coarse powder with a particle size of 250 μm, put it into a closed extraction kettle, use hexafluoropropane as solvent, at a pressure of 1.0~1.5MPa and a temperature of 35~40 ℃, under the subcritical conditions of 45min and 32L/h flow rate, the extraction mixture is then transferred into a separation kettle, and hexafluoropropane is gasified at a temperature of 40~50 ℃ and a pressure of 0.1 ~ 0.2MPa to obtain 83g of essential oil, the yield of essential oil is 4.2%, and the content of 2-undecanone in essential oil is 87%. |
| content analysis | determined by gas chromatography (GT-10-4) with polar column. |
| toxicity | GRAS(FEMA;FDA,§ 172.515,2000). |
| use limit | FEMA(mg/kg): beverage 2.8; Ice cream 0.54; Candy 2.6; Baked product 3.1; Gelatin and pudding 5.0. Moderate limit (FDA,§ 172.515,2000). |
| use | GB 2760-1996 specified as allowed edible spices. It is used in the production of medicines and spices, and it can also be used as spices. It is the standard substance for gas chromatography analysis. |
| production method | is obtained by condensation and elimination of capric acid and glacial acetic acid. The pumice catalyst adsorbed with magnesium acetate in the reaction tube was heated, activated at 450 ℃ for 2 hours, cooled to 400 ℃, then mixed solution of decanoic acid and glacial acetic acid was added from the upper part of the reaction tube at a flow rate of 2000ml per hour at 380-400 ℃, first passed through the vaporization section equipped with porcelain ring, then entered the reaction section equipped with catalyst, and finally discharged through the cooling section. The collected reaction liquid was washed with hot water, the water layer was removed, the oil layer was taken for vacuum distillation, and the fraction at 130-146 ℃(2.67kPa) was collected to obtain methanone. The yield is over 75%. |
| category | pesticide |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 5000 mg/kg; Oral-mouse LD50: 3880 mg/kg |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; separate from food raw materials storage and transportation |
| fire extinguishing agent | dry powder, foam, sand |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 20:45:29
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