Ethyl 3-oxohexano
Ethyl butyrylacetate
CAS: 3249-68-1
Molecular Formula: C8H14O3
Ethyl 3-oxohexano - Names and Identifiers
| Name | Ethyl butyrylacetate |
| Synonyms | Butyrylacetate Ethyl 3-oxohexano Ethy Butyrylacetate Ethyl 3-oxohexanoate Ethyl butyrylacetate 3-oxo-hexanoicaciethylester 3-Oxohexanoic acid ethyl ester ETHYL BUTYRYLACETATE FOR SYNTHESIS Ethyl 3-oxocaproate, Ethyl butyrylacetate, Ethyl butanoylacetate Butyrylacetic acid ethyl ester~Ethyl 3-oxohexanoate~3-Oxohexanoic acid ethyl ester Ethyl ButyrylacetateEthyl 3-Ketohexanoate3-Ketohexanoic Acid Ethyl Ester3-Oxohexanoic Acid Ethyl Ester |
| CAS | 3249-68-1 |
| EINECS | 221-835-9 |
| InChI | InChI=1/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3 |
| InChIKey | KQWWVLVLVYYYDT-UHFFFAOYSA-N |
Ethyl 3-oxohexano - Physico-chemical Properties
| Molecular Formula | C8H14O3 |
| Molar Mass | 158.2 |
| Density | 0.989g/mLat 25°C(lit.) |
| Melting Point | -44°C |
| Boling Point | 104°C22mm Hg(lit.) |
| Flash Point | 173°F |
| JECFA Number | 602 |
| Water Solubility | IMMISCIBLE |
| Vapor Presure | 0.243mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear colorless |
| BRN | 507689 |
| pKa | 10.69±0.46(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| Refractive Index | n20/D 1.427(lit.) |
| MDL | MFCD00009401 |
| Physical and Chemical Properties | Colorless liquid. Fruit aroma, slightly oil aroma. Boiling point 90 °c (1333Pa) or 104 °c (2933Pa). Slightly soluble in water, soluble in oil. |
Ethyl 3-oxohexano - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| UN IDs | NA 1993 / PGIII |
| WGK Germany | 3 |
| RTECS | MO8420500 |
| HS Code | 29183000 |
Ethyl 3-oxohexano - Reference Information
| FEMA | 3683 | ETHYL 3-OXOHEXANOATE |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): baked goods 5.0; Gel products, pudding, alcoholic beverages, confectionery, icing, 3.0; Alcohol-free beverage 1.5; Oil, fruit ice products, 2.5; Hard candy, 7.5. |
| use | food spices. The intermediate of the hyperthyroidism therapeutic agent propylthiouracil. |
| Production method | Diethyl malonate is condensed with propionyl chloride, and then decarboxylated to obtain the product. |
Last Update：2024-04-10 22:29:15
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