| 2-Acetylthiophene Basic information |
| Description |
| Product Name: | 2-Acetylthiophene |
| Synonyms: | 1-(2-THIENYL)ETHAN-1-ONE;AKOS BBS-00000940;2-ACETYLTHIOLE;2-ACETYLTHIOPHENE;2-ACETOTHIOPHENE;LABOTEST-BB LT01593557;METHYL 2-THIENYL KETONE;2-ACETYLTHIOPHENE 98+% |
| CAS: | 88-15-3 |
| MF: | C6H6OS |
| MW: | 126.18 |
| EINECS: | 201-804-6 |
| Product Categories: | Heterocycle-oher series;Sulphur Derivatives;Thiophene&Benzothiophene;thiophene Flavor;Thiophenes;1;bc0001 |
| Mol File: | 88-15-3.mol |
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| 2-Acetylthiophene Chemical Properties |
| Melting point | 10-11 °C (lit.) |
| Boiling point | 214 °C (lit.) |
| density | 1.168 g/mL at 25 °C (lit.) |
| vapor pressure | 2.7 hPa (50 °C) |
| refractive index | n20/D 1.565(lit.) |
| Fp | 196 °F |
| storage temp. | Store below +30°C. |
| solubility | 14g/l |
| form | Liquid |
| color | Clear pale yellow to light brown |
| Odor | at 100.00 %. sulfurous nutty hazelnut walnut |
| Odor Type | sulfurous |
| Water Solubility | Insoluble in water. |
| Sensitive | Light Sensitive |
| BRN | 107910 |
| InChIKey | WYJOVVXUZNRJQY-UHFFFAOYSA-N |
| LogP | 1.250 |
| CAS DataBase Reference | 88-15-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Ethanone, 1-(2-thienyl)-(88-15-3) |
| EPA Substance Registry System | Ethanone, 1-(2-thienyl)- (88-15-3) |
| Safety Information |
| Hazard Codes | T,Xi,Xn |
| Risk Statements | 25-23/24/25-20/21/22 |
| Safety Statements | 45-38-36/37/39-28-36 |
| RIDADR | UN 2810 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | OB6300000 |
| F | 13 |
| Autoignition Temperature | 265 °C DIN 51794 |
| Hazard Note | Irritant |
| TSCA | Yes |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29349990 |
| Toxicity | LD50 orally in Rabbit: 25 – 200 mg/kg LD50 dermal Rat 370 mg/kg |
| Provider | Language |
|---|---|
| 2-Acetylthiophene | English |
| SigmaAldrich | English |
| ACROS | English |
| ALFA | English |
| 2-Acetylthiophene Usage And Synthesis |
| Description | 2-Acetylthiophene occurs naturally in kohlrabi. It has a sulfurous nutty hazelnut odor. It can be used as a food additive. It is also used as an intermediate to produce drugs, such as Tiamonium Iodide, Suprofan, Stepronin, Tenonitrozole, Namirotene, etc. |
| Chemical Properties | clear colorless to slightly yellow liquid |
| Uses | 2-Acetylthiophene is used as an intermediate in the manufacturing of drugs like Tiamonium Iodide, Suprofan, Stepronin, Tenonitrozole, Namirotene, etc. |
| Definition | ChEBI: 2-Acetylthiophene is an aromatic ketone. |
| Synthesis Reference(s) | Organic Syntheses, Coll. Vol. 2, p. 8, 1943 The Journal of Organic Chemistry, 36, p. 540, 1971 DOI: 10.1021/jo00803a011 Tetrahedron Letters, 40, p. 3109, 1999 DOI: 10.1016/S0040-4039(99)00476-1 |
| Safety Profile | Poison by intraperitoneal route. A flammable liquid. When heated to decomposition emits toxic fumes of SOx,. |
| Purification Methods | Fractionally distil the thiophene through a 12-plate column, and fraction b 77o/4mm is collected. Also wet the acetylthiophene in order to remove and free thiophene which forms an azeotrope with H2O, b 68o. Store it in a brown bottle, and the clear colourless liquid remains thus for extended periods. [Kosak & Hartough Org Synth Coll Vol III 14 1955, Hartough & Kosak J Am Chem Soc 69 3093 1947.] The red 4-nitrophenylhydrazone crystallises from EtOH with m 181-182o. [Beilstein 17/9 V 387.] |
| 2-Acetylthiophene Preparation Products And Raw materials |