2,3-Pentanedione CAS 600-14-6
Introduction：Basic information about 2,3-Pentanedione CAS 600-14-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2,3-Pentanedione Basic information
| Product Name: | 2,3-Pentanedione |
| Synonyms: | 2,3-Pentadione;2,3-pentandione;3-Pentanedione;Acethylpropionyl;CH3C(O)C(O)C2H5;2,3-PENTANEDITHIOL;2 3-PENTANEDIONE 96+% FCC;2,3-PENTANEDIONE 97% |
| CAS: | 600-14-6 |
| MF: | C5H8O2 |
| MW: | 100.12 |
| EINECS: | 209-984-8 |
| Product Categories: | Pharmaceutical Raw Materials;ketone Flavor;Organics |
| Mol File: | 600-14-6.mol |
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) |
| refractive index | n |
| FEMA | 2841 | 2,3-PENTANEDIONE |
| Fp | 66 °F |
| storage temp. | 2-8°C |
| solubility | 60g/l |
| form | Liquid |
| color | very deep green-yellow |
| Odor | at 1.00 % in dipropylene glycol. pungent sweet butter creamy caramel nutty cheese |
| PH | 4 (H2O) |
| Odor Type | buttery |
| biological source | synthetic |
| 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. |
| Major Application | flavors and fragrances |
| InChI | 1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3 |
| InChIKey | TZMFJUDUGYTVRY-UHFFFAOYSA-N |
| SMILES | CCC(=O)C(C)=O |
| 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) |
Safety Information
| 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 | TSCA listed |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29141990 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Flam. Liq. 2 Skin Sens. 1B STOT RE 2 |
| Hazardous Substances Data | 600-14-6(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 3000 mg/kg LD50 dermal Rabbit > 2500 mg/kg |
| 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 hydrochlorideunder 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 bakedgoods 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
| Raw materials | Hydroxylamine hydrochloride-->2-Butanone-->2-Hydroxypropanoic acid-->Potassium lactate |
| Preparation Products | ALPHA-KETOBUTYRIC ACID SODIUM SALT-->3-Maleimidopropionic acid-->2-Ethyl-3,5-dimethylpyrazine-->Difurfuryldisulfide-->Furfural |
