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| 2,3-Pentanedione Basic information |
| 2,3-Pentanedione Chemical Properties |
| Melting point | -52 °C (lit.) | | Boiling point | 110-112 °C (lit.) | | density | 0.957 g/mL at 25 °C (lit.) | | vapor pressure | 28.5 hPa (20 °C) | | FEMA | 2841 | 2,3-PENTANEDIONE | | refractive index | n20/D 1.404(lit.) | | Fp | 66 °F | | storage temp. | 2-8°C | | solubility | 60g/l | | form | Liquid | | color | very deep green-yellow | | PH | 4 (H2O) | | explosive limit | 1.8-10.9%(V) | | Water Solubility | 60 g/L (15 ºC) | | JECFA Number | 410 | | BRN | 1699638 | | Exposure limits | NIOSH: TWA 9.3 ppb; STEL 31 ppb | | Stability: | Stable. Highly flammable - store cool. Incompatible with strong oxidizing agents, reducing agents, strong bases. | | InChIKey | TZMFJUDUGYTVRY-UHFFFAOYSA-N | | LogP | -0.85 | | CAS DataBase Reference | 600-14-6(CAS DataBase Reference) | | NIST Chemistry Reference | 2,3-Pentanedione(600-14-6) | | EPA Substance Registry System | 2,3-Pentanedione (600-14-6) |
| Hazard Codes | F,Xi | | Risk Statements | 11-36/37/38 | | Safety Statements | 16-26-36-37/39 | | RIDADR | UN 1224 3/PG 2 | | WGK Germany | 1 | | RTECS | SA1850000 | | F | 9-23 | | Autoignition Temperature | 265 °C | | TSCA | Yes | | HazardClass | 3 | | PackingGroup | II | | HS Code | 29141990 | | Hazardous Substances Data | 600-14-6(Hazardous Substances Data) | | Toxicity | LD50 orally in Rabbit: 3000 mg/kg LD50 dermal Rabbit > 2500 mg/kg |
| 2,3-Pentanedione Usage And Synthesis |
| Chemical Properties | 2,3-Pentanedione is a colourless or deep green-yellow colour liquid that has a somewhat sweet odor similar to quinone. This compound has a penetrating, buttery taste on dilution. It is used as flavoring agent or adjuvant. | | Occurrence | 2,3-Pentanedione occurs in butter, bread, milk, yogurt, chicken, meat, cocoa, coffee, potato chips, roasted almonds, pecans, beer, red and white wine, rum and whiskey. The organoleptic profile can be described as creamy, penetrating, cheesy, oily, sweet, buttery, almondlike, brown roasted, and somewhat caramellic, with a fruity nuance. | | Uses | 2,3-Pentanedione may be used as a reference standard in the determination of 2,3-pentanedione in beer samples using headspace-gas chromatographic technique (HS-GC). | | Application | 2,3-Pentanedione can be used as a reactant to synthesize:Bisphenol derivatives by acid-catalyzed condensation reaction with phenols.2-Ethyl-3-methyl-1H-indole by Pd-catalyzed reaction with aniline under reductive conditions.2-Ethyl-3-methylquinoxaline by condensation reaction with o-phenylenediamine using citric acid as a catalyst. | | Definition | ChEBI: 2,3-Pentanedione is an alpha-diketone that is pentane substituted at the 2- and 3-positions by oxo groups. It has a role as a flavouring agent. It is an alpha-diketone and a methyl ketone. It derives from a hydride of a pentane. | | Preparation | By oxidation of methyl propyl ketone with excess NaNO2 and diluted HCl in the presence of hydroxylamine hydrochloride
under a nitrogen blanket. | | Aroma threshold values | Detection: 20 ppb. Aroma characteristics at 1.0%: buttery diacetyl-like, fermented dairy and creamy,
popcorn buttery. | | Taste threshold values | Taste characteristics at 1 to 5 ppm: sweet buttery, creamy, cheesy, slightly toasted dairy, with a rich baked
goods nuance and a good mouthfeel. | | General Description | 2,3-Pentanedione (acetylpropionyl) is one of the aroma active compounds of cereal coffee brew. | | Biochem/physiol Actions | Taste at 1-5.0 ppm | | Safety Profile | Confirmed human carcinogen. Poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating fumes. See also NICKEL COMPOUNDS |
| 2,3-Pentanedione Preparation Products And Raw materials |
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