Methyl propyl diketone
2,3-hexanedione
CAS: 3848-24-6
Molecular Formula: C6H10O2
Methyl propyl diketone - Names and Identifiers
| Name | 2,3-hexanedione |
| Synonyms | AI3-35989 NSC 31665 FEMA 2558 BRN 1699896 Acetylbutyryl FEMA No. 2558 Acetyl butyryl ACETYL BUTYRYL Butyryl acetyl 2,3-Hexanodione 2,3-hexanedione 2,3-Hexanedione 2,3-HEXANEDIONE hexane-2,3-dione methylpropyldiketone Methyl propyl diketone |
| CAS | 3848-24-6 |
| EINECS | 223-350-8 |
| InChI | InChI=1/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3 |
Methyl propyl diketone - Physico-chemical Properties
| Molecular Formula | C6H10O2 |
| Molar Mass | 114.14 |
| Density | 0.934g/mLat 25°C(lit.) |
| Melting Point | -30 °C |
| Boling Point | 128°C(lit.) |
| Flash Point | 83°F |
| JECFA Number | 412 |
| Water Solubility | Partly miscible in water. |
| Solubility | H2O: soluble (slightly soluble) |
| Vapor Presure | 10 mm Hg ( 20 °C) |
| Vapor Density | 3.9 (vs air) |
| Appearance | neat |
| BRN | 1699896 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Flammable. Incompatible with strong bases, strong oxidizing agents. |
| Explosive Limit | 1.2-5.9%(V) |
| Refractive Index | n20/D 1.412(lit.) |
| Physical and Chemical Properties | Yellow oily liquid. It has a cream-sweet flavor (weaker than diacetyl) with a cream and cheese flavor. Boiling Point 128 °c. Slightly soluble in water, soluble in propylene glycol, ethanol and oils. Natural products are found in peach, roast chicken, beef, coffee, fermented soy sauce, etc. |
Methyl propyl diketone - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S16 - Keep away from sources of ignition. |
| UN IDs | UN 1224 3/PG 3 |
| WGK Germany | 2 |
| RTECS | MO3140000 |
| TSCA | Yes |
| HS Code | 29141990 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
Methyl propyl diketone - Nature
Open Data Verified Data
yellowish oily liquid. There is a taste of cream and cheese. Slightly soluble in water, soluble in propylene glycol, ethanol and a variety of fatty oils.
Last Update：2024-01-02 23:10:35
Methyl propyl diketone - Preparation Method
Open Data Verified Data
The product is obtained from the condensation of propionaldehyde with ethyl acetoacetate followed by oxidation, hydrolysis and decarboxylation. It can also be converted to a monooxime with methyl butyl ketone or ethyl acetone and hydrolyzed to 2, 3-hexanedione. It can also be converted by the acid-catalyzed condensation of hydroxyacetone with propionaldehyde.
Last Update：2022-01-01 10:08:02
Methyl propyl diketone - Use
Open Data Verified Data
is a homolog of butanedione. Its milk fat cream aroma is widely used in various foods. The consumption of beverage and ice food flavor can reach 6. 6 mg/kg. The consumption of sweet food and baking food flavor can reach 7. 3 mg/kg. It is used as soap essence, detergent essence, perfume essence, cream essence, etc.
Last Update：2022-01-01 10:08:02
Methyl propyl diketone - Safety
Open Data Verified Data
The acute oral LD50 of rats and the percutaneous LD50 of rabbits were both higher than 5g/kg. The samples were applied to rabbit skin under closed conditions for 1 day with moderate irritation. A two-day closed skin contact test of 4% Vaseline preparation on human body showed no irritation and sensitization.
Last Update：2022-01-01 10:08:03
Methyl propyl diketone - Reference Information
| FEMA | 2558 | 2,3-HEXANEDIONE |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): soft drink 6.6; Cold drink 4.8; Candy 7.3; Baked products 6.6. FDA,§ 172.515: Limited to Moderate Amount. |
| use | GB 2760-1997 stipulates that it is allowed to use food spices. |
| Production method | It is obtained by polycondensation of propionaldehyde and ethyl acetoacetate, oxidation (H2O2 and sodium tungstate), hydrolysis and decarboxylation. Or it is obtained from methyl butanone and ethyl acetone via mono-oxime. |
| spontaneous combustion temperature | 245°C |
Last Update：2024-04-09 02:00:05
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