2-Pentanone
2-Pentanone
CAS: 107-87-9
Molecular Formula: C5H10O
2-Pentanone - Names and Identifiers
| Name | 2-Pentanone |
| Synonyms | FEMA 2842 2-Pentanon 2-Pentanone PENTAN-2-ONE ETHYLACETONE 2-Oxopentane METHYL PROPYL KETONE METHYL N-PROPYLKETON Methyl propyl ketone METHYL N-PROPYL KETONE 3,5-dimethylheptan-4-one METHYL PROPYL KETONE, PURE METHYL PROPYL KETONE, NATURAL METHYL PROPYL KETONE, REGULAR GRADE |
| CAS | 107-87-9 |
| EINECS | 203-528-1 |
| InChI | InChI=1/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3 |
2-Pentanone - Physico-chemical Properties
| Molecular Formula | C5H10O |
| Molar Mass | 86.13 |
| Density | 0.809 g/mL at 25 °C (lit.) |
| Melting Point | -78 °C (lit.) |
| Boling Point | 101-105 °C (lit.) |
| Flash Point | 45°F |
| JECFA Number | 279 |
| Water Solubility | 43 g/L (20 ºC) |
| Solubility | water: soluble72.6g/L at 20°C (OECD Test Guideline 105) |
| Vapor Presure | 27 mm Hg ( 20 °C) |
| Appearance | Liquid |
| Color | Colorless to Almost colorless |
| Exposure Limit | TLV-TWA 700 mg/m3 (200 ppm); STEL875 mg/m3 (250 ppm) (ACGIH). |
| Maximum wavelength(λmax) | ['λ: 330 nm Amax: 1.00', , 'λ: 340 nm Amax: 0.10', , 'λ: 350 nm Amax: 0.01', , 'λ: 37 |
| Merck | 14,6114 |
| BRN | 506058 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Highly flammable - note low flashpoint. Incompatible with strong bases, oxidizing agents, reducing agents. |
| Explosive Limit | 1.56-8.70%(V) |
| Refractive Index | n20/D 1.39(lit.) |
| Physical and Chemical Properties | Colorless liquid with wine and acetone odor. melting point -77.75 ℃ boiling point 102 ℃ relative density 0.8089 refractive index 1.3895 soluble in water, miscible with ethanol and ether |
| Use | Used as a solvent, organic synthesis intermediates |
2-Pentanone - Risk and Safety
| Risk Codes | R11 - Highly Flammable R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. S29 - Do not empty into drains. S33 - Take precautionary measures against static discharges. S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN 1249 3/PG 2 |
| WGK Germany | 1 |
| RTECS | SA7875000 |
| TSCA | Yes |
| HS Code | 2914 19 90 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in rats: 3.73 g/kg (Smyth) |
2-Pentanone - Nature
Open Data Verified Data
colorless liquid, soluble in ethanol, ether, slightly soluble in water. Boiling point 102.4 °c. Melting Point -77.8 °c. The relative density was 0.8076. Refractive index 3902. Flash point (closed) 7.2 ℃.
Last Update：2024-01-02 23:10:35
2-Pentanone - Preparation Method
Open Data Verified Data
- obtained by dehydrogenation of 2-secondary amyl alcohol.
- derived from the Co-heating of ethyl butyryl acetate with water.
Last Update：2022-01-01 10:16:56
2-Pentanone - Use
Open Data Verified Data
used as solvent, extractant, raw materials for organic synthesis.
Last Update：2022-01-01 10:16:57
2-Pentanone - Safety
Open Data Verified Data
- This product is extremely irritating to the eyes and tracheal mucosa, and is narcotic at high concentrations. In animal experiments, inhalation concentration of 2%~ 3%(volume) of the vapor, 30~60 minutes can be lethal. The maximum allowable concentration in workplace air is 700mg/m3. The production equipment should be closed, the workshop should be ventilated, and the operator should wear protective equipment.
- The pressure cylinder or pressure storage tank is used for storage and transportation to avoid exposure and impact. According to the provisions of the storage and transportation of toxic and flammable chemicals.
Last Update：2022-01-01 10:16:57
2-Pentanone - Reference Information
| FEMA | 2842 | 2-PENTANONE |
| relative polarity | 0.321 |
| olfactory Threshold | 0.028ppm |
| Henry's Law Constant | 12.30 at 25.00 °C (headspace-GC, Straver and de Loos, 2005) |
| LogP | 0.857 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) |
| Application | methylacetone can be used as a low-toxicity and fast-drying solvent for solvent-based adhesives. |
| content analysis | is the same as the content analysis method in "2-heptanone (03576). However, the sample was measured at 1g. The reaction time was 15min at room temperature. The calculation corresponds to 0.25 mg of 2-pentanone (C5H10O) per mL of 43.06 mol/L sulfuric acid. Or according to the gas chromatography (GT 10-4) with non polar column method. |
| toxicity | GRAS(FEMA). LD50 3730mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): Soft drink 13; Cold drink 34; Candy 32; Baked goods 32. Moderate limits (FDA § 172.515,2000). |
| Use | GB 2760-1996 specifies the permitted use of spices. Mainly used in the preparation of banana, pineapple, fruit and other types of flavor. This product is an excellent dewaxing agent for lubricating oil, and is also used as a solvent for Nitro paint, synthetic resin coating and an intermediate for organic synthesis. It is also used as an extractant. organic and Pharmaceutical synthetic intermediates can be used to synthesize the vasodilator Viagra Virga. organic solvent. Extractant. Used as solvent, organic synthesis intermediate |
| production method | 1. Derived from dehydrogenation of 2-sec-pentanol. 2. Prepared by co-heating ethyl butyryl acetate with water. obtained by distillation of a mixture of calcium acetate and calcium butyrate. It is derived from the oxidation of sodium N-hexanoate (or ammonium N-hexanoate) with hydrogen peroxide. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 1600 mg/kg; Oral-mouse LD50: 1600 mg/kg |
| stimulation data | Skin-rabbit 405 mg mild |
| explosive hazard characteristics | explosive when mixed with air |
| flammability hazard characteristics | flammable; Spicy and irritating smoke released from fire scene |
| storage and transportation characteristics | store in a cool, well-ventilated area, away from heat, ignition sources and incompatible substances. When transferring more than 5 gallons of material, the metal container must be grounded. |
| fire extinguishing agent | carbon dioxide, dry chemical powder, alcohol foam |
| Occupational Standard | TWA 700 mg/m3; Tel 875 mg/m3 |
| spontaneous combustion temperature | 941 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
| immediate life-and health-threatening concentrations | 1,500 ppm |
Last Update：2024-04-09 02:00:04
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