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| | 1-Phenyl-1,2-propanedione Basic information |
| Product Name: | 1-Phenyl-1,2-propanedione | | Synonyms: | 2-propanedione;Phenyl-1,2-propanedinone;1-PHENYL-1 2-PROPANEDIONE 98+%;Phenyl-1,2-propanedione;1,2-Propanedione, 1-phenyl-;1-Phenyl-1,2-propaned;1-PHENYL-1,2-PROPANEDIONE 98%;Phenyl-1,2-propanedione, 1- | | CAS: | 579-07-7 | | MF: | C9H8O2 | | MW: | 148.16 | | EINECS: | 209-435-2 | | Product Categories: | Organics | | Mol File: | 579-07-7.mol |  |
| | 1-Phenyl-1,2-propanedione Chemical Properties |
| Melting point | <20 °C | | Boiling point | 103-105 °C/14 mmHg (lit.) | | density | 1.101 g/mL at 25 °C (lit.) | | FEMA | 3226 | 1-PHENYL-1,2-PROPANEDIONE | | refractive index | n20/D 1.532(lit.) | | Fp | 184 °F | | storage temp. | Inert atmosphere,Room Temperature | | solubility | Chloroform (Soluble), Hexane (Slightly), Methanol (Slightly) | | form | Liquid | | color | Clear yellow | | Odor | at 10.00 % in propylene glycol. plastic buttery honey | | Odor Type | plastic | | biological source | synthetic | | JECFA Number | 833 | | Major Application | flavors and fragrances | | InChI | 1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3 | | InChIKey | BVQVLAIMHVDZEL-UHFFFAOYSA-N | | SMILES | CC(=O)C(=O)c1ccccc1 | | LogP | 0.82 | | CAS DataBase Reference | 579-07-7(CAS DataBase Reference) | | NIST Chemistry Reference | 1,2-Propanedione, 1-phenyl-(579-07-7) | | EPA Substance Registry System | 1,2-Propanedione, 1-phenyl- (579-07-7) |
| Hazard Codes | Xn,Xi | | Risk Statements | 22-36/37/38 | | Safety Statements | 26-36 | | RIDADR | 1224 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | II | | HS Code | 29143990 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 1-Phenyl-1,2-propanedione Usage And Synthesis |
| Chemical Properties | 1-Phenyl-1,2-propanedione has a pungent, plastic odor. | | Chemical Properties | clear yellow liquid | | Occurrence | Reported found as a constituent in coffee, baked potato and butter. | | Uses | Pyruvophenone was used in the synthesis of opioid receptor agonists for gastrointestinal disorders. The enantioselective hydrogenation of Pyruvophenone over Pt colloids was also studied. | | Definition | ChEBI: An alpha-diketone that consists of 1-phenylpropane bearing keto substituents at positions 1 and 2. It is found in coffee. | | Aroma threshold values | Aroma characteristics at 1.0%: creamy, buttery, fatty, slightly vanillalike, slightly walnut nutty, almond
and marzipanlike with a woody styraxlike nuance, and having a slightly sour yeasty and fermented nuance. | | Taste threshold values | Taste characteristics at 5 ppm: cultured creamy, dairylike and slightly astringent with a slight spicy caraway/
cumin nuance. | | Synthesis Reference(s) | The Journal of Organic Chemistry, 36, p. 3553, 1971 DOI: 10.1021/jo00822a019 | | General Description | 1-Phenyl-1,2-propanedione is a volatile flavor compound found in khat leaves and cambará honey. | | Synthesis | By oxidation of propiophenone or benzyl methyl ketone with selenium dioxide; by the acid hydrolysis of oximonopropiophenone
or other synthetic routes. |
| | 1-Phenyl-1,2-propanedione Preparation Products And Raw materials |
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